2-cyclopropyl-4-[(5-hydroxy-2,2-dimethylpentyl)amino]-1H-pyrimidin-6-one

C14H23N3O2 — CID 136857366

IUPAC2-cyclopropyl-4-[(5-hydroxy-2,2-dimethylpentyl)amino]-1H-pyrimidin-6-one
SMILESCC(C)(CCCO)CNc1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C14H23N3O2/c1-14(2,6-3-7-18)9-15-11-8-12(19)17-13(16-11)10-4-5-10/h8,10,18H,3-7,9H2,1-2H3,(H2,15,16,17,19)
InChIKeyCXNXUMDBMLTJBK-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.86
Rot. Bonds7

About 2-cyclopropyl-4-[(5-hydroxy-2,2-dimethylpentyl)amino]-1H-pyrimidin-6-one

2-cyclopropyl-4-[(5-hydroxy-2,2-dimethylpentyl)amino]-1H-pyrimidin-6-one (PubChem CID 136857366) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-cyclopropyl-4-[(5-hydroxy-2,2-dimethylpentyl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclopropyl-4-[(5-hydroxy-2,2-dimethylpentyl)amino]-1H-pyrimidin-6-one
PubChem CID136857366
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name2-cyclopropyl-4-[(5-hydroxy-2,2-dimethylpentyl)amino]-1H-pyrimidin-6-one
SMILESCC(C)(CCCO)CNc1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C14H23N3O2/c1-14(2,6-3-7-18)9-15-11-8-12(19)17-13(16-11)10-4-5-10/h8,10,18H,3-7,9H2,1-2H3,(H2,15,16,17,19)
InChIKeyCXNXUMDBMLTJBK-UHFFFAOYSA-N
XLogP1.86
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-hydroxy-4,4-dimethylpentyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136703822
2-cyclopropyl-4-[(2-hydroxy-4,4-dimethylpentyl)amino]-1H-pyrimidin-6-one
CID 136703823
4-[(2-hydroxy-4,4-dimethylpentyl)amino]-2-methyl-1H-pyrimidin-6-one
CID 136703824
2-ethyl-4-[(2-hydroxy-4,4-dimethylpentyl)amino]-1H-pyrimidin-6-one
CID 136703830
2-cyclopropyl-4-[(2-hydroxy-4-methylpentyl)amino]-1H-pyrimidin-6-one
CID 136703832
4-[(2-hydroxy-4-methylpentyl)amino]-2-methyl-1H-pyrimidin-6-one
CID 136703833
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-[(4-methoxy-2,2-dimethylbutyl)amino]-1H-pyrimidin-6-one
CID 136723592
4-[[1-(2-methoxyethyl)cyclopropyl]methylamino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136756214

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-[(5-hydroxy-2,2-dimethylpentyl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclopropyl-4-[(5-hydroxy-2,2-dimethylpentyl)amino]-1H-pyrimidin-6-one (CID 136857366) is 2-cyclopropyl-4-[(5-hydroxy-2,2-dimethylpentyl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclopropyl-4-[(5-hydroxy-2,2-dimethylpentyl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclopropyl-4-[(5-hydroxy-2,2-dimethylpentyl)amino]-1H-pyrimidin-6-one is CC(C)(CCCO)CNc1cc(=O)[nH]c(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-4-[(5-hydroxy-2,2-dimethylpentyl)amino]-1H-pyrimidin-6-one?
The InChIKey is CXNXUMDBMLTJBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-14(2,6-3-7-18)9-15-11-8-12(19)17-13(16-11)10-4-5-10/h8,10,18H,3-7,9H2,1-2H3,(H2,15,16,17,19).
What are the key properties of 2-cyclopropyl-4-[(5-hydroxy-2,2-dimethylpentyl)amino]-1H-pyrimidin-6-one?
2-cyclopropyl-4-[(5-hydroxy-2,2-dimethylpentyl)amino]-1H-pyrimidin-6-one has a molecular weight of 265.36 g/mol, XLogP of 1.86, 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-hydroxy-2,2-dimethylpentyl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136857366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).