4-[methyl(pentyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one

C13H23N3O — CID 137009103

IUPAC4-[methyl(pentyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCCCCCN(C)c1cc(=O)[nH]c(C(C)C)n1
InChIInChI=1S/C13H23N3O/c1-5-6-7-8-16(4)11-9-12(17)15-13(14-11)10(2)3/h9-10H,5-8H2,1-4H3,(H,14,15,17)
InChIKeyAIGZVNYLYWJWST-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.52
Rot. Bonds6

About 4-[methyl(pentyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one

4-[methyl(pentyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 137009103) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 4-[methyl(pentyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[methyl(pentyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
PubChem CID137009103
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name4-[methyl(pentyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCCCCCN(C)c1cc(=O)[nH]c(C(C)C)n1
InChIInChI=1S/C13H23N3O/c1-5-6-7-8-16(4)11-9-12(17)15-13(14-11)10(2)3/h9-10H,5-8H2,1-4H3,(H,14,15,17)
InChIKeyAIGZVNYLYWJWST-UHFFFAOYSA-N
XLogP2.52
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-propan-2-yl-4-(2,2,2-trifluoroethylamino)-1H-pyrimidin-6-one
CID 136973715
2-propan-2-yl-4-(3,3,3-trifluoropropylamino)-1H-pyrimidin-6-one
CID 136975606
4-(2,2-difluoroethylamino)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136976580
2-ethyl-4-(5,5,5-trifluoropentylamino)-1H-pyrimidin-6-one
CID 136976592
2-cyclopropyl-4-(5,5,5-trifluoropentylamino)-1H-pyrimidin-6-one
CID 136976593
2-propan-2-yl-4-(5,5,5-trifluoropentylamino)-1H-pyrimidin-6-one
CID 136976595
4-[methyl(2,2,2-trifluoroethyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136989920
4-[methyl(3,3,3-trifluoropropyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136990017
2-cyclopropyl-4-[methyl(3,3,3-trifluoropropyl)amino]-1H-pyrimidin-6-one
CID 136990018
2-cyclopropyl-4-[methyl(2,2,2-trifluoroethyl)amino]-1H-pyrimidin-6-one
CID 137009213
4-[ethyl(2,2,2-trifluoroethyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 137009243
2-cyclopropyl-4-[ethyl(2,2,2-trifluoroethyl)amino]-1H-pyrimidin-6-one
CID 137009246

Frequently Asked Questions

What is the IUPAC name of 4-[methyl(pentyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-[methyl(pentyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one (CID 137009103) is 4-[methyl(pentyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[methyl(pentyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[methyl(pentyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one is CCCCCN(C)c1cc(=O)[nH]c(C(C)C)n1.
What is the InChIKey of 4-[methyl(pentyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is AIGZVNYLYWJWST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-5-6-7-8-16(4)11-9-12(17)15-13(14-11)10(2)3/h9-10H,5-8H2,1-4H3,(H,14,15,17).
What are the key properties of 4-[methyl(pentyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one?
4-[methyl(pentyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 237.35 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(pentyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 137009103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).