5-amino-4-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-1H-pyrimidin-6-one

C9H16N4O2 — CID 136949433

IUPAC5-amino-4-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-1H-pyrimidin-6-one
SMILESCC(C)[C@@H](CO)Nc1nc[nH]c(=O)c1N
InChIInChI=1S/C9H16N4O2/c1-5(2)6(3-14)13-8-7(10)9(15)12-4-11-8/h4-6,14H,3,10H2,1-2H3,(H2,11,12,13,15)/t6-/m1/s1
InChIKeyHWWWPKQPNNQNEH-ZCFIWIBFSA-N
MW212.25 g/mol
LogP-0.22
Rot. Bonds4

About 5-amino-4-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-1H-pyrimidin-6-one

5-amino-4-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-1H-pyrimidin-6-one (PubChem CID 136949433) has the molecular formula C9H16N4O2 and a molecular weight of 212.25 g/mol. Its IUPAC name is 5-amino-4-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-1H-pyrimidin-6-one
PubChem CID136949433
Molecular FormulaC9H16N4O2
Molecular Weight212.25 g/mol
Exact Mass212.13
IUPAC Name5-amino-4-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-1H-pyrimidin-6-one
SMILESCC(C)[C@@H](CO)Nc1nc[nH]c(=O)c1N
InChIInChI=1S/C9H16N4O2/c1-5(2)6(3-14)13-8-7(10)9(15)12-4-11-8/h4-6,14H,3,10H2,1-2H3,(H2,11,12,13,15)/t6-/m1/s1
InChIKeyHWWWPKQPNNQNEH-ZCFIWIBFSA-N
XLogP-0.22
TPSA104.03 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 5-0.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

2-Amino-6-(hydroxymethyl)-7,7-dimethyl-3,5,6,8-tetrahydropteridin-4-one
CID 135626459
2-Amino-7-(hydroxymethyl)-6,7-dimethyl-3,5,6,8-tetrahydropteridin-4-one
CID 135626463
5-Amino-6-((2-hydroxyethyl)amino)pyrimidin-4(3H)-one
CID 136271508
5-amino-4-[(2-hydroxy-4-methylpentyl)amino]-1H-pyrimidin-6-one
CID 136703841
5-amino-4-(4-hydroxybutylamino)-1H-pyrimidin-6-one
CID 136772467
5-amino-4-[(3-ethyl-2-hydroxypentyl)amino]-1H-pyrimidin-6-one
CID 136817765
5-amino-4-[(1-hydroxy-4-methylpentan-3-yl)amino]-1H-pyrimidin-6-one
CID 136847965
5-amino-4-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]-1H-pyrimidin-6-one
CID 136847973
5-amino-4-[(1-hydroxy-3-methylpentan-3-yl)amino]-1H-pyrimidin-6-one
CID 136849671
5-amino-4-[(4-hydroxy-2,2-dimethylbutyl)amino]-1H-pyrimidin-6-one
CID 136857350
5-amino-4-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-1H-pyrimidin-6-one
CID 136864257
5-amino-4-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-1H-pyrimidin-6-one
CID 136870592

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-1H-pyrimidin-6-one (CID 136949433) is 5-amino-4-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-1H-pyrimidin-6-one is CC(C)[C@@H](CO)Nc1nc[nH]c(=O)c1N.
What is the InChIKey of 5-amino-4-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-1H-pyrimidin-6-one?
The InChIKey is HWWWPKQPNNQNEH-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H16N4O2/c1-5(2)6(3-14)13-8-7(10)9(15)12-4-11-8/h4-6,14H,3,10H2,1-2H3,(H2,11,12,13,15)/t6-/m1/s1.
What are the key properties of 5-amino-4-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-1H-pyrimidin-6-one?
5-amino-4-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-1H-pyrimidin-6-one has a molecular weight of 212.25 g/mol, XLogP of -0.22, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136949433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).