2-cyclopropyl-4-[5-hydroxypentyl(methyl)amino]-1H-pyrimidin-6-one

C13H21N3O2 — CID 136766326

IUPAC2-cyclopropyl-4-[5-hydroxypentyl(methyl)amino]-1H-pyrimidin-6-one
SMILESCN(CCCCCO)c1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C13H21N3O2/c1-16(7-3-2-4-8-17)11-9-12(18)15-13(14-11)10-5-6-10/h9-10,17H,2-8H2,1H3,(H,14,15,18)
InChIKeyFDXXTROKOKCLFR-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.25
Rot. Bonds7

About 2-cyclopropyl-4-[5-hydroxypentyl(methyl)amino]-1H-pyrimidin-6-one

2-cyclopropyl-4-[5-hydroxypentyl(methyl)amino]-1H-pyrimidin-6-one (PubChem CID 136766326) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-cyclopropyl-4-[5-hydroxypentyl(methyl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclopropyl-4-[5-hydroxypentyl(methyl)amino]-1H-pyrimidin-6-one
PubChem CID136766326
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name2-cyclopropyl-4-[5-hydroxypentyl(methyl)amino]-1H-pyrimidin-6-one
SMILESCN(CCCCCO)c1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C13H21N3O2/c1-16(7-3-2-4-8-17)11-9-12(18)15-13(14-11)10-5-6-10/h9-10,17H,2-8H2,1H3,(H,14,15,18)
InChIKeyFDXXTROKOKCLFR-UHFFFAOYSA-N
XLogP1.25
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-cyclopropyl-4-[3-hydroxypropyl(propan-2-yl)amino]-1H-pyrimidin-6-one
CID 136989571
2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N,N-dimethylacetamide
CID 137009112
methyl 2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-methylamino]acetate
CID 137007497
3-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-methylamino]-2-methylpropanoic acid
CID 136958657
4-[5-hydroxypentyl(methyl)amino]-1H-pyrimidin-6-one
CID 136766323
4-[4-hydroxybutyl(methyl)amino]-1H-pyrimidin-6-one
CID 135453817
2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-ethylamino]acetic acid
CID 136958564
4-[bis(cyclopropylmethyl)amino]-2-cyclopropyl-1H-pyrimidin-6-one
CID 137009734
methyl 2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-(2-methoxy-2-oxoethyl)amino]acetate
CID 137007673
4-[(5-amino-2-chlorophenyl)methyl-methylamino]-2-cyclopropyl-1H-pyrimidin-6-one
CID 136979346
2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-propylamino]-N-methylacetamide
CID 137009357
3-[cyclopropyl-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]propanenitrile
CID 136972967

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-[5-hydroxypentyl(methyl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclopropyl-4-[5-hydroxypentyl(methyl)amino]-1H-pyrimidin-6-one (CID 136766326) is 2-cyclopropyl-4-[5-hydroxypentyl(methyl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclopropyl-4-[5-hydroxypentyl(methyl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclopropyl-4-[5-hydroxypentyl(methyl)amino]-1H-pyrimidin-6-one is CN(CCCCCO)c1cc(=O)[nH]c(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-4-[5-hydroxypentyl(methyl)amino]-1H-pyrimidin-6-one?
The InChIKey is FDXXTROKOKCLFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-16(7-3-2-4-8-17)11-9-12(18)15-13(14-11)10-5-6-10/h9-10,17H,2-8H2,1H3,(H,14,15,18).
What are the key properties of 2-cyclopropyl-4-[5-hydroxypentyl(methyl)amino]-1H-pyrimidin-6-one?
2-cyclopropyl-4-[5-hydroxypentyl(methyl)amino]-1H-pyrimidin-6-one has a molecular weight of 251.33 g/mol, XLogP of 1.25, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-[5-hydroxypentyl(methyl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136766326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).