4-amino-1-propan-2-ylpyrimidin-2-one;2-amino-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;1-propan-2-ylpyrimidine-2,4-dione;7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine

C32H45N13O4 — CID 163618122

IUPAC4-amino-1-propan-2-ylpyrimidin-2-one;2-amino-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;1-propan-2-ylpyrimidine-2,4-dione;7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine
SMILESCC(C)n1ccc(=O)[nH]c1=O.CC(C)n1ccc(N)nc1=O.CC(C)n1ccc2c(=O)[nH]c(N)nc21.CC(C)n1ccc2c(N)ncnc21
InChIInChI=1S/C9H12N4O.C9H12N4.C7H11N3O.C7H10N2O2/c1-5(2)13-4-3-6-7(13)11-9(10)12-8(6)14;1-6(2)13-4-3-7-8(10)11-5-12-9(7)13;1-5(2)10-4-3-6(8)9-7(10)11;1-5(2)9-4-3-6(10)8-7(9)11/h3-5H,1-2H3,(H3,10,11,12,14);3-6H,1-2H3,(H2,10,11,12);3-5H,1-2H3,(H2,8,9,11);3-5H,1-2H3,(H,8,10,11)
InChIKeyHLSRLBJGVMNXLE-UHFFFAOYSA-N
MW675.80 g/mol
LogP3.01
Rot. Bonds4

About 4-amino-1-propan-2-ylpyrimidin-2-one;2-amino-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;1-propan-2-ylpyrimidine-2,4-dione;7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine

4-amino-1-propan-2-ylpyrimidin-2-one;2-amino-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;1-propan-2-ylpyrimidine-2,4-dione;7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 163618122) has the molecular formula C32H45N13O4 and a molecular weight of 675.80 g/mol. Its IUPAC name is 4-amino-1-propan-2-ylpyrimidin-2-one;2-amino-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;1-propan-2-ylpyrimidine-2,4-dione;7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name4-amino-1-propan-2-ylpyrimidin-2-one;2-amino-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;1-propan-2-ylpyrimidine-2,4-dione;7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID163618122
Molecular FormulaC32H45N13O4
Molecular Weight675.80 g/mol
Exact Mass675.37
IUPAC Name4-amino-1-propan-2-ylpyrimidin-2-one;2-amino-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;1-propan-2-ylpyrimidine-2,4-dione;7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine
SMILESCC(C)n1ccc(=O)[nH]c1=O.CC(C)n1ccc(N)nc1=O.CC(C)n1ccc2c(=O)[nH]c(N)nc21.CC(C)n1ccc2c(N)ncnc21
InChIInChI=1S/C9H12N4O.C9H12N4.C7H11N3O.C7H10N2O2/c1-5(2)13-4-3-6-7(13)11-9(10)12-8(6)14;1-6(2)13-4-3-7-8(10)11-5-12-9(7)13;1-5(2)10-4-3-6(8)9-7(10)11;1-5(2)9-4-3-6(10)8-7(9)11/h3-5H,1-2H3,(H3,10,11,12,14);3-6H,1-2H3,(H2,10,11,12);3-5H,1-2H3,(H2,8,9,11);3-5H,1-2H3,(H,8,10,11)
InChIKeyHLSRLBJGVMNXLE-UHFFFAOYSA-N
XLogP3.01
TPSA249.20 Ų
H-Bond Donors5
H-Bond Acceptors15
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500675.80
LogP ≤ 53.01
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1015

Analyze 4-amino-1-propan-2-ylpyrimidin-2-one;2-amino-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;1-propan-2-ylpyrimidine-2,4-dione;7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine with MolForge

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Related Compounds

4-amino-5-methyl-1-propan-2-ylpyrimidin-2-one;2-amino-9-propan-2-yl-1H-purin-6-one;4-amino-1-propan-2-ylpyrimidin-2-one;5-fluoro-1-propan-2-ylpyrimidine-2,4-dione;5-methyl-1-propan-2-ylpyrimidine-2,4-dione;5-phenyl-1-propan-2-ylpyrimidine-2,4-dione;1-propan-2-yl-5-prop-1-ynylpyrimidine-2,4-dione;9-propan-2-ylpurin-6-amine;1-propan-2-ylpyrimidine-2,4-dione;7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine
CID 161124373
4-amino-5-methyl-1-propan-2-ylpyrimidin-2-one;2-amino-9-propan-2-yl-1H-purin-6-one;4-amino-1-propan-2-ylpyrimidin-2-one;5-methyl-1-propan-2-ylpyrimidine-2,4-dione;9-propan-2-ylpurin-6-amine;9-propan-2-ylpurine-2,6-diamine;1-propan-2-ylpyrimidine-2,4-dione;5-propan-2-yl-1H-pyrimidine-2,4-dione;1-propan-2-yl-2-sulfanylidenepyrimidin-4-one
CID 158297377
5-methyl-1-propan-2-ylpyrimidine-2,4-dione;1-propan-2-ylpyrimidine-2,4-dione
CID 161423675
2-amino-7-methyl-3H-pyrrolo[2,3-d]pyrimidin-4-one;ethane
CID 142932958
7-propan-2-ylpyrrolo[2,3-d]pyrimidine-2,4-diamine
CID 58811327
5-bromo-1-propan-2-ylpyrimidine-2,4-dione;1-propan-2-ylpyrimidine-2,4-dione
CID 162083169
2-amino-7-methanidyl-3H-pyrrolo[2,3-d]pyrimidin-4-one;yttrium
CID 58122992
1-[(2R,3R,4S,5R)-4-[[(2R,3S,4R,5R)-3-[[(2R,3S,4R,5R)-3-[[(2R,3S,4R,5R)-3-[[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-[[(2R,3S,4R,5R)-3-[[(2R,3S,4R,5R)-3-[[3-[[(2R,3S,4R,5R)-2-[[[(2R,3S,4R,5R)-2-[[[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[(2R,3S,4R,5R)-2-[[[(2R,3S,4R,5R)-2-[[[(2R,3S,4R,5R)-2-[[[(2R,3S,4R,5R)-2-[[[(2R,3S,4R,5R)-2-[[[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-2-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(2-amino-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-7-yl)-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(6-aminopurin-9-yl)-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(2-amino-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-7-yl)-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxyoxolan-3-yl]oxy-sulfanylphosphoryl]oxymethyl]-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphinothioyl]oxy-2-hydroxypropoxy]-hydroxyphosphinothioyl]oxy-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-4-hydroxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(2-amino-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-7-yl)-4-hydroxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(6-aminopurin-9-yl)-4-hydroxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(2-amino-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-7-yl)-4-hydroxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-[[[(2R,3S,4R,5R)-2-[[[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-2-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-3-hydroxyoxolan-2-yl]pyrimidine-2,4-dione
CID 46880180
1-[(2R,3R,4S,5R)-4-[[(2R,3S,4R,5R)-3-[[(2R,3S,4R,5R)-3-[[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-[[(2R,3S,4R,5R)-3-[[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-[[(2R,3S,4R,5R)-3-[[(2R,3S,4R,5R)-3-[[3-[[(2R,3S,4R,5R)-2-[[[(2R,3S,4R,5R)-2-[[[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[(2R,3S,4R,5R)-2-[[[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[(2R,3S,4R,5R)-2-[[[(2R,3S,4R,5R)-5-(2-amino-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-7-yl)-2-[[[(2R,3S,4R,5R)-2-[[[(2R,3S,4R,5R)-2-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-2-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(6-aminopurin-9-yl)-4-hydroxyoxolan-3-yl]oxy-sulfanylphosphoryl]oxymethyl]-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(2-amino-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-7-yl)-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphinothioyl]oxy-2-hydroxypropoxy]-hydroxyphosphinothioyl]oxy-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-4-hydroxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(2-amino-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-7-yl)-4-hydroxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-4-hydroxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(6-aminopurin-9-yl)-4-hydroxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(2-amino-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-7-yl)-4-hydroxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-[[[(2R,3S,4R,5R)-2-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-2-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-3-hydroxyoxolan-2-yl]pyrimidine-2,4-dione
CID 46880175
2-amino-9-propan-2-yl-1H-purin-6-one;9-propan-2-ylpurin-6-amine;3-propan-2-yltriazolo[4,5-d]pyrimidin-7-amine
CID 160504093
N-methyl-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine
CID 142359850
2-amino-7-[(1S,2R,3R)-1-fluoro-2,4-dihydroxy-3-methoxybutyl]-3H-pyrrolo[2,3-d]pyrimidin-4-one
CID 137213650

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-propan-2-ylpyrimidin-2-one;2-amino-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;1-propan-2-ylpyrimidine-2,4-dione;7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 4-amino-1-propan-2-ylpyrimidin-2-one;2-amino-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;1-propan-2-ylpyrimidine-2,4-dione;7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine (CID 163618122) is 4-amino-1-propan-2-ylpyrimidin-2-one;2-amino-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;1-propan-2-ylpyrimidine-2,4-dione;7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 4-amino-1-propan-2-ylpyrimidin-2-one;2-amino-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;1-propan-2-ylpyrimidine-2,4-dione;7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 4-amino-1-propan-2-ylpyrimidin-2-one;2-amino-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;1-propan-2-ylpyrimidine-2,4-dione;7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine is CC(C)n1ccc(=O)[nH]c1=O.CC(C)n1ccc(N)nc1=O.CC(C)n1ccc2c(=O)[nH]c(N)nc21.CC(C)n1ccc2c(N)ncnc21.
What is the InChIKey of 4-amino-1-propan-2-ylpyrimidin-2-one;2-amino-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;1-propan-2-ylpyrimidine-2,4-dione;7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is HLSRLBJGVMNXLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O.C9H12N4.C7H11N3O.C7H10N2O2/c1-5(2)13-4-3-6-7(13)11-9(10)12-8(6)14;1-6(2)13-4-3-7-8(10)11-5-12-9(7)13;1-5(2)10-4-3-6(8)9-7(10)11;1-5(2)9-4-3-6(10)8-7(9)11/h3-5H,1-2H3,(H3,10,11,12,14);3-6H,1-2H3,(H2,10,11,12);3-5H,1-2H3,(H2,8,9,11);3-5H,1-2H3,(H,8,10,11).
What are the key properties of 4-amino-1-propan-2-ylpyrimidin-2-one;2-amino-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;1-propan-2-ylpyrimidine-2,4-dione;7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine?
4-amino-1-propan-2-ylpyrimidin-2-one;2-amino-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;1-propan-2-ylpyrimidine-2,4-dione;7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 675.80 g/mol, XLogP of 3.01, 4 rotatable bonds, 5 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-propan-2-ylpyrimidin-2-one;2-amino-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;1-propan-2-ylpyrimidine-2,4-dione;7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 163618122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).