6-amino-5-[(3-hydroxy-2-methylpropyl)amino]-1-propylpyrimidine-2,4-dione

C11H20N4O3 — CID 61360592

IUPAC6-amino-5-[(3-hydroxy-2-methylpropyl)amino]-1-propylpyrimidine-2,4-dione
SMILESCCCn1c(N)c(NCC(C)CO)c(=O)[nH]c1=O
InChIInChI=1S/C11H20N4O3/c1-3-4-15-9(12)8(10(17)14-11(15)18)13-5-7(2)6-16/h7,13,16H,3-6,12H2,1-2H3,(H,14,17,18)
InChIKeyUPEITXILYUGBFZ-UHFFFAOYSA-N
MW256.31 g/mol
LogP-0.43
Rot. Bonds6

About 6-amino-5-[(3-hydroxy-2-methylpropyl)amino]-1-propylpyrimidine-2,4-dione

6-amino-5-[(3-hydroxy-2-methylpropyl)amino]-1-propylpyrimidine-2,4-dione (PubChem CID 61360592) has the molecular formula C11H20N4O3 and a molecular weight of 256.31 g/mol. Its IUPAC name is 6-amino-5-[(3-hydroxy-2-methylpropyl)amino]-1-propylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-[(3-hydroxy-2-methylpropyl)amino]-1-propylpyrimidine-2,4-dione
PubChem CID61360592
Molecular FormulaC11H20N4O3
Molecular Weight256.31 g/mol
Exact Mass256.15
IUPAC Name6-amino-5-[(3-hydroxy-2-methylpropyl)amino]-1-propylpyrimidine-2,4-dione
SMILESCCCn1c(N)c(NCC(C)CO)c(=O)[nH]c1=O
InChIInChI=1S/C11H20N4O3/c1-3-4-15-9(12)8(10(17)14-11(15)18)13-5-7(2)6-16/h7,13,16H,3-6,12H2,1-2H3,(H,14,17,18)
InChIKeyUPEITXILYUGBFZ-UHFFFAOYSA-N
XLogP-0.43
TPSA113.14 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 5-0.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

6-amino-5-[(4-hydroxy-2-methylbutyl)amino]-1-propylpyrimidine-2,4-dione
CID 66108166
6-amino-5-[(2-methyl-3-methylsulfanylpropyl)amino]-1-propylpyrimidine-2,4-dione
CID 63967441
6-amino-5-(2-ethylbutylamino)-1-propylpyrimidine-2,4-dione
CID 115613195
6-amino-1-butyl-5-[(2-methyl-3-methylsulfanylpropyl)amino]pyrimidine-2,4-dione
CID 63966820
6-amino-5-(3-hydroxypropylamino)-1-propylpyrimidine-2,4-dione
CID 60649083
6-amino-5-hydrazinyl-1-propylpyrimidine-2,4-dione
CID 60920992
6-amino-5-[(1-methylcyclopropyl)methylamino]-1-propylpyrimidine-2,4-dione
CID 113248923
6-amino-5-(3-methylsulfanylbutylamino)-1-propylpyrimidine-2,4-dione
CID 115604164
2-[(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)amino]ethanesulfonamide
CID 54933726
6-amino-5-(2-methylsulfanylethylamino)-1-propylpyrimidine-2,4-dione
CID 60661605
3-[(6-amino-1-ethyl-2,4-dioxopyrimidin-5-yl)amino]-2-hydroxypropanamide
CID 106170945
6-amino-5-(1-methoxypropan-2-ylamino)-1-propylpyrimidine-2,4-dione
CID 60649217

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-[(3-hydroxy-2-methylpropyl)amino]-1-propylpyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-[(3-hydroxy-2-methylpropyl)amino]-1-propylpyrimidine-2,4-dione (CID 61360592) is 6-amino-5-[(3-hydroxy-2-methylpropyl)amino]-1-propylpyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-[(3-hydroxy-2-methylpropyl)amino]-1-propylpyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-[(3-hydroxy-2-methylpropyl)amino]-1-propylpyrimidine-2,4-dione is CCCn1c(N)c(NCC(C)CO)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-5-[(3-hydroxy-2-methylpropyl)amino]-1-propylpyrimidine-2,4-dione?
The InChIKey is UPEITXILYUGBFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O3/c1-3-4-15-9(12)8(10(17)14-11(15)18)13-5-7(2)6-16/h7,13,16H,3-6,12H2,1-2H3,(H,14,17,18).
What are the key properties of 6-amino-5-[(3-hydroxy-2-methylpropyl)amino]-1-propylpyrimidine-2,4-dione?
6-amino-5-[(3-hydroxy-2-methylpropyl)amino]-1-propylpyrimidine-2,4-dione has a molecular weight of 256.31 g/mol, XLogP of -0.43, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-[(3-hydroxy-2-methylpropyl)amino]-1-propylpyrimidine-2,4-dione is sourced from PubChem (CID 61360592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).