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

C12H19N3O2 — CID 136759218

IUPAC2-cyclopropyl-4-(5-hydroxypentylamino)-1H-pyrimidin-6-one
SMILESO=c1cc(NCCCCCO)nc(C2CC2)[nH]1
InChIInChI=1S/C12H19N3O2/c16-7-3-1-2-6-13-10-8-11(17)15-12(14-10)9-4-5-9/h8-9,16H,1-7H2,(H2,13,14,15,17)
InChIKeyMNHXSZDDNYZFKF-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.22
Rot. Bonds7

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

2-cyclopropyl-4-(5-hydroxypentylamino)-1H-pyrimidin-6-one (PubChem CID 136759218) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-cyclopropyl-4-(5-hydroxypentylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclopropyl-4-(5-hydroxypentylamino)-1H-pyrimidin-6-one
PubChem CID136759218
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name2-cyclopropyl-4-(5-hydroxypentylamino)-1H-pyrimidin-6-one
SMILESO=c1cc(NCCCCCO)nc(C2CC2)[nH]1
InChIInChI=1S/C12H19N3O2/c16-7-3-1-2-6-13-10-8-11(17)15-12(14-10)9-4-5-9/h8-9,16H,1-7H2,(H2,13,14,15,17)
InChIKeyMNHXSZDDNYZFKF-UHFFFAOYSA-N
XLogP1.22
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.22
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

2-amino-4-[[2-(hydroxymethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one
CID 136197575
2-cyclopropyl-4-[(2-hydroxy-4,4-dimethylpentyl)amino]-1H-pyrimidin-6-one
CID 136703823
2-cyclopropyl-4-[(2-hydroxy-4-methylpentyl)amino]-1H-pyrimidin-6-one
CID 136703832
2-ethyl-4-[(2-hydroxy-4-methylpentyl)amino]-1H-pyrimidin-6-one
CID 136703839
4-[2-(2-hydroxyethyl)pentylamino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136704097
2-cyclopropyl-4-[2-(2-hydroxyethyl)pentylamino]-1H-pyrimidin-6-one
CID 136704098
2-ethyl-4-[2-(2-hydroxyethyl)pentylamino]-1H-pyrimidin-6-one
CID 136704104
2-cyclopropyl-4-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-1H-pyrimidin-6-one
CID 136758197
4-(5-hydroxypentylamino)-2-methyl-1H-pyrimidin-6-one
CID 136759213
4-(5-hydroxypentylamino)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136759214
2-ethyl-4-(5-hydroxypentylamino)-1H-pyrimidin-6-one
CID 136759221
2-ethyl-4-[5-hydroxypentyl(methyl)amino]-1H-pyrimidin-6-one
CID 136766320

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-(5-hydroxypentylamino)-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclopropyl-4-(5-hydroxypentylamino)-1H-pyrimidin-6-one (CID 136759218) is 2-cyclopropyl-4-(5-hydroxypentylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclopropyl-4-(5-hydroxypentylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclopropyl-4-(5-hydroxypentylamino)-1H-pyrimidin-6-one is O=c1cc(NCCCCCO)nc(C2CC2)[nH]1.
What is the InChIKey of 2-cyclopropyl-4-(5-hydroxypentylamino)-1H-pyrimidin-6-one?
The InChIKey is MNHXSZDDNYZFKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c16-7-3-1-2-6-13-10-8-11(17)15-12(14-10)9-4-5-9/h8-9,16H,1-7H2,(H2,13,14,15,17).
What are the key properties of 2-cyclopropyl-4-(5-hydroxypentylamino)-1H-pyrimidin-6-one?
2-cyclopropyl-4-(5-hydroxypentylamino)-1H-pyrimidin-6-one has a molecular weight of 237.30 g/mol, XLogP of 1.22, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-(5-hydroxypentylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136759218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).