2-amino-5,7-di(propan-2-yl)-3H-pyrrolo[2,3-d]pyrimidin-4-one;1,3-di(propan-2-yl)pyrrolo[2,3-b]pyridin-4-amine;2-methylidene-1,5-di(propan-2-yl)pyrimidin-4-amine;2-methylidene-1,5-di(propan-2-yl)pyrimidin-4-one

C47H74N12O2 — CID 164975372

IUPAC2-amino-5,7-di(propan-2-yl)-3H-pyrrolo[2,3-d]pyrimidin-4-one;1,3-di(propan-2-yl)pyrrolo[2,3-b]pyridin-4-amine;2-methylidene-1,5-di(propan-2-yl)pyrimidin-4-amine;2-methylidene-1,5-di(propan-2-yl)pyrimidin-4-one
SMILESC=C1N=C(N)C(C(C)C)=CN1C(C)C.C=C1NC(=O)C(C(C)C)=CN1C(C)C.CC(C)c1cn(C(C)C)c2nc(N)[nH]c(=O)c12.CC(C)c1cn(C(C)C)c2nccc(N)c12
InChIInChI=1S/C13H19N3.C12H18N4O.C11H19N3.C11H18N2O/c1-8(2)10-7-16(9(3)4)13-12(10)11(14)5-6-15-13;1-6(2)8-5-16(7(3)4)10-9(8)11(17)15-12(13)14-10;1-7(2)10-6-14(8(3)4)9(5)13-11(10)12;1-7(2)10-6-13(8(3)4)9(5)12-11(10)14/h5-9H,1-4H3,(H2,14,15);5-7H,1-4H3,(H3,13,14,15,17);6-8H,5H2,1-4H3,(H2,12,13);6-8H,5H2,1-4H3,(H,12,14)
InChIKeyDRWWLDVGHKSGBM-UHFFFAOYSA-N
MW839.19 g/mol
LogP9.25
Rot. Bonds8

About 2-amino-5,7-di(propan-2-yl)-3H-pyrrolo[2,3-d]pyrimidin-4-one;1,3-di(propan-2-yl)pyrrolo[2,3-b]pyridin-4-amine;2-methylidene-1,5-di(propan-2-yl)pyrimidin-4-amine;2-methylidene-1,5-di(propan-2-yl)pyrimidin-4-one

2-amino-5,7-di(propan-2-yl)-3H-pyrrolo[2,3-d]pyrimidin-4-one;1,3-di(propan-2-yl)pyrrolo[2,3-b]pyridin-4-amine;2-methylidene-1,5-di(propan-2-yl)pyrimidin-4-amine;2-methylidene-1,5-di(propan-2-yl)pyrimidin-4-one (PubChem CID 164975372) has the molecular formula C47H74N12O2 and a molecular weight of 839.19 g/mol. Its IUPAC name is 2-amino-5,7-di(propan-2-yl)-3H-pyrrolo[2,3-d]pyrimidin-4-one;1,3-di(propan-2-yl)pyrrolo[2,3-b]pyridin-4-amine;2-methylidene-1,5-di(propan-2-yl)pyrimidin-4-amine;2-methylidene-1,5-di(propan-2-yl)pyrimidin-4-one.

Molecular Properties

Compound Name2-amino-5,7-di(propan-2-yl)-3H-pyrrolo[2,3-d]pyrimidin-4-one;1,3-di(propan-2-yl)pyrrolo[2,3-b]pyridin-4-amine;2-methylidene-1,5-di(propan-2-yl)pyrimidin-4-amine;2-methylidene-1,5-di(propan-2-yl)pyrimidin-4-one
PubChem CID164975372
Molecular FormulaC47H74N12O2
Molecular Weight839.19 g/mol
Exact Mass838.61
IUPAC Name2-amino-5,7-di(propan-2-yl)-3H-pyrrolo[2,3-d]pyrimidin-4-one;1,3-di(propan-2-yl)pyrrolo[2,3-b]pyridin-4-amine;2-methylidene-1,5-di(propan-2-yl)pyrimidin-4-amine;2-methylidene-1,5-di(propan-2-yl)pyrimidin-4-one
SMILESC=C1N=C(N)C(C(C)C)=CN1C(C)C.C=C1NC(=O)C(C(C)C)=CN1C(C)C.CC(C)c1cn(C(C)C)c2nc(N)[nH]c(=O)c12.CC(C)c1cn(C(C)C)c2nccc(N)c12
InChIInChI=1S/C13H19N3.C12H18N4O.C11H19N3.C11H18N2O/c1-8(2)10-7-16(9(3)4)13-12(10)11(14)5-6-15-13;1-6(2)8-5-16(7(3)4)10-9(8)11(17)15-12(13)14-10;1-7(2)10-6-14(8(3)4)9(5)13-11(10)12;1-7(2)10-6-13(8(3)4)9(5)12-11(10)14/h5-9H,1-4H3,(H2,14,15);5-7H,1-4H3,(H3,13,14,15,17);6-8H,5H2,1-4H3,(H2,12,13);6-8H,5H2,1-4H3,(H,12,14)
InChIKeyDRWWLDVGHKSGBM-UHFFFAOYSA-N
XLogP9.25
TPSA194.50 Ų
H-Bond Donors5
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms61
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500839.19
LogP ≤ 59.25
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1012

Analyze 2-amino-5,7-di(propan-2-yl)-3H-pyrrolo[2,3-d]pyrimidin-4-one;1,3-di(propan-2-yl)pyrrolo[2,3-b]pyridin-4-amine;2-methylidene-1,5-di(propan-2-yl)pyrimidin-4-amine;2-methylidene-1,5-di(propan-2-yl)pyrimidin-4-one with MolForge

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Launch Full Analysis

Related Compounds

2-amino-7-methyl-5-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;ethane
CID 166552112
5-methyl-2-methylidene-1-propan-2-ylpyrimidin-4-amine;5-methyl-1-propan-2-ylpyrimidine-2,4-dione
CID 158501852
3-iodo-1-propan-2-ylpyrrolo[2,3-b]pyridin-4-amine
CID 90347962
2-amino-5-tert-butyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;4-amino-1,5-ditert-butylpyrimidin-2-one;3-tert-butyl-1-propan-2-ylpyrrolo[2,3-b]pyridin-4-amine;1,5-ditert-butylpyridine-2,4-dione
CID 158870661
3-fluoro-1-propan-2-ylpyrrolo[2,3-b]pyridin-4-amine
CID 90347961
4-amino-1-methyl-5-propan-2-ylpyrimidin-2-one;1-methyl-2-methylidene-5-propan-2-ylpyrimidin-4-one;3-methyl-2-propan-2-ylimidazo[4,5-b]pyridin-7-amine;3-methyl-N-propan-2-ylimidazo[4,5-b]pyridin-7-amine;9-methyl-2-propan-2-ylpurin-6-amine
CID 160615729
1,3,4-tri(propan-2-yl)pyrrolo[3,2-c]pyridine
CID 71038115
2-amino-9-propan-2-yl-1H-purin-6-one;methane;2-methylidene-1-propan-2-ylpyrimidin-4-amine;2-methylidene-1-propan-2-ylpyrimidin-4-one;N-(2-oxo-1-propan-2-ylpyrimidin-4-yl)benzamide;N-(6-phenylmethoxy-9-propan-2-ylpurin-2-yl)benzamide
CID 159578157
2-amino-7-propan-2-yl-1H-purin-6-one
CID 135618536
2-amino-5-chloro-7-methyl-3H-pyrrolo[2,3-d]pyrimidin-4-one
CID 178059608
2-amino-5-fluoro-7-(2-methylpropyl)-3H-pyrrolo[2,3-d]pyrimidin-4-one
CID 163830235
2-amino-9-(1-methoxyethyl)-1H-purin-6-one
CID 135996340

Frequently Asked Questions

What is the IUPAC name of 2-amino-5,7-di(propan-2-yl)-3H-pyrrolo[2,3-d]pyrimidin-4-one;1,3-di(propan-2-yl)pyrrolo[2,3-b]pyridin-4-amine;2-methylidene-1,5-di(propan-2-yl)pyrimidin-4-amine;2-methylidene-1,5-di(propan-2-yl)pyrimidin-4-one?
The IUPAC name of 2-amino-5,7-di(propan-2-yl)-3H-pyrrolo[2,3-d]pyrimidin-4-one;1,3-di(propan-2-yl)pyrrolo[2,3-b]pyridin-4-amine;2-methylidene-1,5-di(propan-2-yl)pyrimidin-4-amine;2-methylidene-1,5-di(propan-2-yl)pyrimidin-4-one (CID 164975372) is 2-amino-5,7-di(propan-2-yl)-3H-pyrrolo[2,3-d]pyrimidin-4-one;1,3-di(propan-2-yl)pyrrolo[2,3-b]pyridin-4-amine;2-methylidene-1,5-di(propan-2-yl)pyrimidin-4-amine;2-methylidene-1,5-di(propan-2-yl)pyrimidin-4-one.
What is the SMILES notation for 2-amino-5,7-di(propan-2-yl)-3H-pyrrolo[2,3-d]pyrimidin-4-one;1,3-di(propan-2-yl)pyrrolo[2,3-b]pyridin-4-amine;2-methylidene-1,5-di(propan-2-yl)pyrimidin-4-amine;2-methylidene-1,5-di(propan-2-yl)pyrimidin-4-one?
The canonical SMILES for 2-amino-5,7-di(propan-2-yl)-3H-pyrrolo[2,3-d]pyrimidin-4-one;1,3-di(propan-2-yl)pyrrolo[2,3-b]pyridin-4-amine;2-methylidene-1,5-di(propan-2-yl)pyrimidin-4-amine;2-methylidene-1,5-di(propan-2-yl)pyrimidin-4-one is C=C1N=C(N)C(C(C)C)=CN1C(C)C.C=C1NC(=O)C(C(C)C)=CN1C(C)C.CC(C)c1cn(C(C)C)c2nc(N)[nH]c(=O)c12.CC(C)c1cn(C(C)C)c2nccc(N)c12.
What is the InChIKey of 2-amino-5,7-di(propan-2-yl)-3H-pyrrolo[2,3-d]pyrimidin-4-one;1,3-di(propan-2-yl)pyrrolo[2,3-b]pyridin-4-amine;2-methylidene-1,5-di(propan-2-yl)pyrimidin-4-amine;2-methylidene-1,5-di(propan-2-yl)pyrimidin-4-one?
The InChIKey is DRWWLDVGHKSGBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3.C12H18N4O.C11H19N3.C11H18N2O/c1-8(2)10-7-16(9(3)4)13-12(10)11(14)5-6-15-13;1-6(2)8-5-16(7(3)4)10-9(8)11(17)15-12(13)14-10;1-7(2)10-6-14(8(3)4)9(5)13-11(10)12;1-7(2)10-6-13(8(3)4)9(5)12-11(10)14/h5-9H,1-4H3,(H2,14,15);5-7H,1-4H3,(H3,13,14,15,17);6-8H,5H2,1-4H3,(H2,12,13);6-8H,5H2,1-4H3,(H,12,14).
What are the key properties of 2-amino-5,7-di(propan-2-yl)-3H-pyrrolo[2,3-d]pyrimidin-4-one;1,3-di(propan-2-yl)pyrrolo[2,3-b]pyridin-4-amine;2-methylidene-1,5-di(propan-2-yl)pyrimidin-4-amine;2-methylidene-1,5-di(propan-2-yl)pyrimidin-4-one?
2-amino-5,7-di(propan-2-yl)-3H-pyrrolo[2,3-d]pyrimidin-4-one;1,3-di(propan-2-yl)pyrrolo[2,3-b]pyridin-4-amine;2-methylidene-1,5-di(propan-2-yl)pyrimidin-4-amine;2-methylidene-1,5-di(propan-2-yl)pyrimidin-4-one has a molecular weight of 839.19 g/mol, XLogP of 9.25, 8 rotatable bonds, 5 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5,7-di(propan-2-yl)-3H-pyrrolo[2,3-d]pyrimidin-4-one;1,3-di(propan-2-yl)pyrrolo[2,3-b]pyridin-4-amine;2-methylidene-1,5-di(propan-2-yl)pyrimidin-4-amine;2-methylidene-1,5-di(propan-2-yl)pyrimidin-4-one is sourced from PubChem (CID 164975372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).