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

C10H17N3O2 — CID 136957144

IUPAC4-(4-hydroxypentan-2-ylamino)-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(NC(C)CC(C)O)cc(=O)[nH]1
InChIInChI=1S/C10H17N3O2/c1-6(4-7(2)14)11-9-5-10(15)13-8(3)12-9/h5-7,14H,4H2,1-3H3,(H2,11,12,13,15)
InChIKeyHIJIWUUIFPRZKK-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.65
Rot. Bonds4

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

4-(4-hydroxypentan-2-ylamino)-2-methyl-1H-pyrimidin-6-one (PubChem CID 136957144) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 4-(4-hydroxypentan-2-ylamino)-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(4-hydroxypentan-2-ylamino)-2-methyl-1H-pyrimidin-6-one
PubChem CID136957144
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name4-(4-hydroxypentan-2-ylamino)-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(NC(C)CC(C)O)cc(=O)[nH]1
InChIInChI=1S/C10H17N3O2/c1-6(4-7(2)14)11-9-5-10(15)13-8(3)12-9/h5-7,14H,4H2,1-3H3,(H2,11,12,13,15)
InChIKeyHIJIWUUIFPRZKK-UHFFFAOYSA-N
XLogP0.65
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
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

4-(4-hydroxypentan-2-ylamino)-2-propan-2-yl-1H-pyrimidin-6-one
CID 137016620
5-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]hexanoic acid
CID 136972348
4-[5-(diethylamino)pentan-2-ylamino]-2-methyl-1H-pyrimidin-6-one
CID 136955975
4-(1-hydroxypentan-3-ylamino)-2-methyl-1H-pyrimidin-6-one
CID 136957293
2-methyl-4-(octan-4-ylamino)-1H-pyrimidin-6-one
CID 137000531
4-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-2-methyl-1H-pyrimidin-6-one
CID 136974893
4-[1-(4-chlorophenyl)ethylamino]-2-methyl-1H-pyrimidin-6-one
CID 136974910
2-methyl-4-(5-methylhexylamino)-1H-pyrimidin-6-one
CID 136957022
4-[1-(2-fluorophenyl)ethylamino]-2-methyl-1H-pyrimidin-6-one
CID 137016292
4-(3-hydroxypropylamino)-2-methyl-1H-pyrimidin-6-one
CID 136956028
2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]acetamide
CID 136955912
4-[1-(5-chlorothiophen-2-yl)ethylamino]-2-methyl-1H-pyrimidin-6-one
CID 136974797

Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxypentan-2-ylamino)-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-(4-hydroxypentan-2-ylamino)-2-methyl-1H-pyrimidin-6-one (CID 136957144) is 4-(4-hydroxypentan-2-ylamino)-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(4-hydroxypentan-2-ylamino)-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(4-hydroxypentan-2-ylamino)-2-methyl-1H-pyrimidin-6-one is Cc1nc(NC(C)CC(C)O)cc(=O)[nH]1.
What is the InChIKey of 4-(4-hydroxypentan-2-ylamino)-2-methyl-1H-pyrimidin-6-one?
The InChIKey is HIJIWUUIFPRZKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-6(4-7(2)14)11-9-5-10(15)13-8(3)12-9/h5-7,14H,4H2,1-3H3,(H2,11,12,13,15).
What are the key properties of 4-(4-hydroxypentan-2-ylamino)-2-methyl-1H-pyrimidin-6-one?
4-(4-hydroxypentan-2-ylamino)-2-methyl-1H-pyrimidin-6-one has a molecular weight of 211.26 g/mol, XLogP of 0.65, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxypentan-2-ylamino)-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136957144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).