4-(5-hydroxypentylamino)-2-methyl-1H-pyrimidin-6-one

C10H17N3O2 — CID 136759213

IUPAC4-(5-hydroxypentylamino)-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(NCCCCCO)cc(=O)[nH]1
InChIInChI=1S/C10H17N3O2/c1-8-12-9(7-10(15)13-8)11-5-3-2-4-6-14/h7,14H,2-6H2,1H3,(H2,11,12,13,15)
InChIKeySIMCJNFVESPYTI-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.65
Rot. Bonds6

About 4-(5-hydroxypentylamino)-2-methyl-1H-pyrimidin-6-one

4-(5-hydroxypentylamino)-2-methyl-1H-pyrimidin-6-one (PubChem CID 136759213) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 4-(5-hydroxypentylamino)-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(5-hydroxypentylamino)-2-methyl-1H-pyrimidin-6-one
PubChem CID136759213
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name4-(5-hydroxypentylamino)-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(NCCCCCO)cc(=O)[nH]1
InChIInChI=1S/C10H17N3O2/c1-8-12-9(7-10(15)13-8)11-5-3-2-4-6-14/h7,14H,2-6H2,1H3,(H2,11,12,13,15)
InChIKeySIMCJNFVESPYTI-UHFFFAOYSA-N
XLogP0.65
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[(4-hydroxycyclohexyl)amino]-2-methyl-1H-pyrimidin-6-one
CID 136695137
4-[(2-hydroxy-4-methylpentyl)amino]-2-methyl-1H-pyrimidin-6-one
CID 136703833
4-[2-(2-hydroxyethyl)pentylamino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136704097
2-ethyl-4-[2-(2-hydroxyethyl)pentylamino]-1H-pyrimidin-6-one
CID 136704104
4-(5-hydroxypentylamino)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136759214
2-cyclopropyl-4-(5-hydroxypentylamino)-1H-pyrimidin-6-one
CID 136759218
4-(5-hydroxypentylamino)-1H-pyrimidin-6-one
CID 136759219
2-ethyl-4-(5-hydroxypentylamino)-1H-pyrimidin-6-one
CID 136759221
2-ethyl-4-[5-hydroxypentyl(methyl)amino]-1H-pyrimidin-6-one
CID 136766320
4-[5-hydroxypentyl(methyl)amino]-1H-pyrimidin-6-one
CID 136766323
2-cyclopropyl-4-[5-hydroxypentyl(methyl)amino]-1H-pyrimidin-6-one
CID 136766326
4-[5-hydroxypentyl(methyl)amino]-2-methyl-1H-pyrimidin-6-one
CID 136766327

Frequently Asked Questions

What is the IUPAC name of 4-(5-hydroxypentylamino)-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-(5-hydroxypentylamino)-2-methyl-1H-pyrimidin-6-one (CID 136759213) is 4-(5-hydroxypentylamino)-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(5-hydroxypentylamino)-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(5-hydroxypentylamino)-2-methyl-1H-pyrimidin-6-one is Cc1nc(NCCCCCO)cc(=O)[nH]1.
What is the InChIKey of 4-(5-hydroxypentylamino)-2-methyl-1H-pyrimidin-6-one?
The InChIKey is SIMCJNFVESPYTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-8-12-9(7-10(15)13-8)11-5-3-2-4-6-14/h7,14H,2-6H2,1H3,(H2,11,12,13,15).
What are the key properties of 4-(5-hydroxypentylamino)-2-methyl-1H-pyrimidin-6-one?
4-(5-hydroxypentylamino)-2-methyl-1H-pyrimidin-6-one has a molecular weight of 211.26 g/mol, XLogP of 0.65, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-hydroxypentylamino)-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136759213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).