4-(1-hydroxypentan-3-ylamino)-2-methyl-1H-pyrimidin-6-one

C10H17N3O2 — CID 136957293

IUPAC4-(1-hydroxypentan-3-ylamino)-2-methyl-1H-pyrimidin-6-one
SMILESCCC(CCO)Nc1cc(=O)[nH]c(C)n1
InChIInChI=1S/C10H17N3O2/c1-3-8(4-5-14)13-9-6-10(15)12-7(2)11-9/h6,8,14H,3-5H2,1-2H3,(H2,11,12,13,15)
InChIKeyXWLRGYUCASBPDP-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.65
Rot. Bonds5

About 4-(1-hydroxypentan-3-ylamino)-2-methyl-1H-pyrimidin-6-one

4-(1-hydroxypentan-3-ylamino)-2-methyl-1H-pyrimidin-6-one (PubChem CID 136957293) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 4-(1-hydroxypentan-3-ylamino)-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(1-hydroxypentan-3-ylamino)-2-methyl-1H-pyrimidin-6-one
PubChem CID136957293
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name4-(1-hydroxypentan-3-ylamino)-2-methyl-1H-pyrimidin-6-one
SMILESCCC(CCO)Nc1cc(=O)[nH]c(C)n1
InChIInChI=1S/C10H17N3O2/c1-3-8(4-5-14)13-9-6-10(15)12-7(2)11-9/h6,8,14H,3-5H2,1-2H3,(H2,11,12,13,15)
InChIKeyXWLRGYUCASBPDP-UHFFFAOYSA-N
XLogP0.65
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-4-(octan-4-ylamino)-1H-pyrimidin-6-one
CID 137000531
4-(4-hydroxypentan-2-ylamino)-2-methyl-1H-pyrimidin-6-one
CID 136957144
4-(3-hydroxypropylamino)-2-methyl-1H-pyrimidin-6-one
CID 136956028
3-[[2-ethyl-6-(methylamino)pyrimidin-4-yl]amino]pentan-1-ol
CID 113496687
4-[(1-hydroxy-3-methylpentan-3-yl)amino]-2-methyl-1H-pyrimidin-6-one
CID 136849675
4-(3-aminopentylamino)-2-methyl-1H-pyrimidin-6-one
CID 137008779
5-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]hexanoic acid
CID 136972348
3-[(5-methylpyridazin-3-yl)amino]pentan-1-ol
CID 106549992
4-[5-(diethylamino)pentan-2-ylamino]-2-methyl-1H-pyrimidin-6-one
CID 136955975
4-[(5-hydroxy-2,2-dimethylpentyl)amino]-2-methyl-1H-pyrimidin-6-one
CID 136987605
4-[1-(2-fluorophenyl)ethylamino]-2-methyl-1H-pyrimidin-6-one
CID 137016292
2-methyl-4-(pentylamino)-1H-pyrimidin-6-one
CID 136955955

Frequently Asked Questions

What is the IUPAC name of 4-(1-hydroxypentan-3-ylamino)-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-(1-hydroxypentan-3-ylamino)-2-methyl-1H-pyrimidin-6-one (CID 136957293) is 4-(1-hydroxypentan-3-ylamino)-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(1-hydroxypentan-3-ylamino)-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(1-hydroxypentan-3-ylamino)-2-methyl-1H-pyrimidin-6-one is CCC(CCO)Nc1cc(=O)[nH]c(C)n1.
What is the InChIKey of 4-(1-hydroxypentan-3-ylamino)-2-methyl-1H-pyrimidin-6-one?
The InChIKey is XWLRGYUCASBPDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-3-8(4-5-14)13-9-6-10(15)12-7(2)11-9/h6,8,14H,3-5H2,1-2H3,(H2,11,12,13,15).
What are the key properties of 4-(1-hydroxypentan-3-ylamino)-2-methyl-1H-pyrimidin-6-one?
4-(1-hydroxypentan-3-ylamino)-2-methyl-1H-pyrimidin-6-one has a molecular weight of 211.26 g/mol, XLogP of 0.65, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-hydroxypentan-3-ylamino)-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136957293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).