2,4-diamino-5-pentan-2-yl-1H-pyrimidin-6-one

C9H16N4O — CID 135491160

IUPAC2,4-diamino-5-pentan-2-yl-1H-pyrimidin-6-one
SMILESCCCC(C)c1c(N)nc(N)[nH]c1=O
InChIInChI=1S/C9H16N4O/c1-3-4-5(2)6-7(10)12-9(11)13-8(6)14/h5H,3-4H2,1-2H3,(H5,10,11,12,13,14)
InChIKeyAGTYDWGRMBSXRV-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.84
Rot. Bonds3

About 2,4-diamino-5-pentan-2-yl-1H-pyrimidin-6-one

2,4-diamino-5-pentan-2-yl-1H-pyrimidin-6-one (PubChem CID 135491160) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is 2,4-diamino-5-pentan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2,4-diamino-5-pentan-2-yl-1H-pyrimidin-6-one
PubChem CID135491160
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name2,4-diamino-5-pentan-2-yl-1H-pyrimidin-6-one
SMILESCCCC(C)c1c(N)nc(N)[nH]c1=O
InChIInChI=1S/C9H16N4O/c1-3-4-5(2)6-7(10)12-9(11)13-8(6)14/h5H,3-4H2,1-2H3,(H5,10,11,12,13,14)
InChIKeyAGTYDWGRMBSXRV-UHFFFAOYSA-N
XLogP0.84
TPSA97.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[1-(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)butyl]benzoic acid
CID 135710988
2,4-diamino-5-(3-methylbutyl)-1H-pyrimidin-6-one
CID 135493668
2,5-diamino-4-[(2S)-2-aminopentyl]-1H-pyrimidin-6-one
CID 136694596
2,4-diamino-5-[1-(2,4-dichlorophenyl)ethyl]-1H-pyrimidin-6-one
CID 135453972
ethyl 4-[3-(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)pent-4-enyl]benzoate
CID 135426807
ethyl 4-[3-(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)-4,4-diethoxybutyl]benzoate
CID 135548178
(2S)-2-(2-amino-4-methyl-6-oxo-1H-pyrimidin-5-yl)propanoate
CID 135832719
4-amino-2-(3-methoxypentan-3-yl)-5-propan-2-yl-1H-pyrimidin-6-one
CID 136960473
ethyl 4-[3-(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)-4-nitrobutyl]benzoate
CID 135440348
methyl (2R)-2-(2-amino-4-methyl-6-oxo-1H-pyrimidin-5-yl)propanoate
CID 135659068
2,4-diamino-5-[1-(4-chlorophenyl)-2-nitroethyl]-1H-pyrimidin-6-one
CID 135489101
2,5-diamino-4-(ethylamino)-1H-pyrimidin-6-one
CID 137221313

Frequently Asked Questions

What is the IUPAC name of 2,4-diamino-5-pentan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 2,4-diamino-5-pentan-2-yl-1H-pyrimidin-6-one (CID 135491160) is 2,4-diamino-5-pentan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 2,4-diamino-5-pentan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 2,4-diamino-5-pentan-2-yl-1H-pyrimidin-6-one is CCCC(C)c1c(N)nc(N)[nH]c1=O.
What is the InChIKey of 2,4-diamino-5-pentan-2-yl-1H-pyrimidin-6-one?
The InChIKey is AGTYDWGRMBSXRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-3-4-5(2)6-7(10)12-9(11)13-8(6)14/h5H,3-4H2,1-2H3,(H5,10,11,12,13,14).
What are the key properties of 2,4-diamino-5-pentan-2-yl-1H-pyrimidin-6-one?
2,4-diamino-5-pentan-2-yl-1H-pyrimidin-6-one has a molecular weight of 196.25 g/mol, XLogP of 0.84, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diamino-5-pentan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 135491160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).