4-[2-(2-hydroxyethyl)pentylamino]-2-propan-2-yl-1H-pyrimidin-6-one

C14H25N3O2 — CID 136704097

IUPAC4-[2-(2-hydroxyethyl)pentylamino]-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCCCC(CCO)CNc1cc(=O)[nH]c(C(C)C)n1
InChIInChI=1S/C14H25N3O2/c1-4-5-11(6-7-18)9-15-12-8-13(19)17-14(16-12)10(2)3/h8,10-11,18H,4-7,9H2,1-3H3,(H2,15,16,17,19)
InChIKeyONQCIZHEBBWXHO-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.10
Rot. Bonds8

About 4-[2-(2-hydroxyethyl)pentylamino]-2-propan-2-yl-1H-pyrimidin-6-one

4-[2-(2-hydroxyethyl)pentylamino]-2-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 136704097) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 4-[2-(2-hydroxyethyl)pentylamino]-2-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[2-(2-hydroxyethyl)pentylamino]-2-propan-2-yl-1H-pyrimidin-6-one
PubChem CID136704097
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name4-[2-(2-hydroxyethyl)pentylamino]-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCCCC(CCO)CNc1cc(=O)[nH]c(C(C)C)n1
InChIInChI=1S/C14H25N3O2/c1-4-5-11(6-7-18)9-15-12-8-13(19)17-14(16-12)10(2)3/h8,10-11,18H,4-7,9H2,1-3H3,(H2,15,16,17,19)
InChIKeyONQCIZHEBBWXHO-UHFFFAOYSA-N
XLogP2.10
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.10
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-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
2-cyclopropyl-4-[2-(2-hydroxyethyl)pentylamino]-1H-pyrimidin-6-one
CID 136704098
4-[2-(2-hydroxyethyl)pentylamino]-1H-pyrimidin-6-one
CID 136704101
2-ethyl-4-[2-(2-hydroxyethyl)pentylamino]-1H-pyrimidin-6-one
CID 136704104
2-ethyl-4-[[2-(hydroxymethyl)cyclopentyl]amino]-1H-pyrimidin-6-one
CID 136746818
4-[[2-(hydroxymethyl)cyclopentyl]amino]-2-methyl-1H-pyrimidin-6-one
CID 136746819
4-[[2-(hydroxymethyl)cyclopentyl]amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136746822
2-cyclopropyl-4-[[2-(hydroxymethyl)cyclopentyl]amino]-1H-pyrimidin-6-one
CID 136746825

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-hydroxyethyl)pentylamino]-2-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-[2-(2-hydroxyethyl)pentylamino]-2-propan-2-yl-1H-pyrimidin-6-one (CID 136704097) is 4-[2-(2-hydroxyethyl)pentylamino]-2-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[2-(2-hydroxyethyl)pentylamino]-2-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[2-(2-hydroxyethyl)pentylamino]-2-propan-2-yl-1H-pyrimidin-6-one is CCCC(CCO)CNc1cc(=O)[nH]c(C(C)C)n1.
What is the InChIKey of 4-[2-(2-hydroxyethyl)pentylamino]-2-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is ONQCIZHEBBWXHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-4-5-11(6-7-18)9-15-12-8-13(19)17-14(16-12)10(2)3/h8,10-11,18H,4-7,9H2,1-3H3,(H2,15,16,17,19).
What are the key properties of 4-[2-(2-hydroxyethyl)pentylamino]-2-propan-2-yl-1H-pyrimidin-6-one?
4-[2-(2-hydroxyethyl)pentylamino]-2-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 267.37 g/mol, XLogP of 2.10, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-hydroxyethyl)pentylamino]-2-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 136704097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).