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

C11H19N3O — CID 136957467

IUPAC2-methyl-4-[methyl(pentyl)amino]-1H-pyrimidin-6-one
SMILESCCCCCN(C)c1cc(=O)[nH]c(C)n1
InChIInChI=1S/C11H19N3O/c1-4-5-6-7-14(3)10-8-11(15)13-9(2)12-10/h8H,4-7H2,1-3H3,(H,12,13,15)
InChIKeyRJMMQSDALWTCPZ-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.70
Rot. Bonds5

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

2-methyl-4-[methyl(pentyl)amino]-1H-pyrimidin-6-one (PubChem CID 136957467) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 2-methyl-4-[methyl(pentyl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-methyl-4-[methyl(pentyl)amino]-1H-pyrimidin-6-one
PubChem CID136957467
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name2-methyl-4-[methyl(pentyl)amino]-1H-pyrimidin-6-one
SMILESCCCCCN(C)c1cc(=O)[nH]c(C)n1
InChIInChI=1S/C11H19N3O/c1-4-5-6-7-14(3)10-8-11(15)13-9(2)12-10/h8H,4-7H2,1-3H3,(H,12,13,15)
InChIKeyRJMMQSDALWTCPZ-UHFFFAOYSA-N
XLogP1.70
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.70
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-methyl-4-(4,4,4-trifluorobutylamino)-1H-pyrimidin-6-one
CID 136957049
2-methyl-4-[methyl(2,2,2-trifluoroethyl)amino]-1H-pyrimidin-6-one
CID 136957546
4-[ethyl(2,2,2-trifluoroethyl)amino]-2-methyl-1H-pyrimidin-6-one
CID 136957580
2-methyl-4-[methyl(3,3,3-trifluoropropyl)amino]-1H-pyrimidin-6-one
CID 136957958
4-[2,2-difluoroethyl(methyl)amino]-2-methyl-1H-pyrimidin-6-one
CID 136958116
2-ethyl-4-(5,5,5-trifluoropentylamino)-1H-pyrimidin-6-one
CID 136976592
2-propan-2-yl-4-(5,5,5-trifluoropentylamino)-1H-pyrimidin-6-one
CID 136976595
2-ethyl-4-[ethyl(2,2,2-trifluoroethyl)amino]-1H-pyrimidin-6-one
CID 136989922
2-ethyl-4-[methyl(2,2,2-trifluoroethyl)amino]-1H-pyrimidin-6-one
CID 137009212
2-ethyl-4-[methyl(3,3,3-trifluoropropyl)amino]-1H-pyrimidin-6-one
CID 137009785
4-[2,2-difluoroethyl(methyl)amino]-2-ethyl-1H-pyrimidin-6-one
CID 137009955
2-methyl-4-(5,5,5-trifluoropentylamino)-1H-pyrimidin-6-one
CID 137015545

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[methyl(pentyl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 2-methyl-4-[methyl(pentyl)amino]-1H-pyrimidin-6-one (CID 136957467) is 2-methyl-4-[methyl(pentyl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-methyl-4-[methyl(pentyl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 2-methyl-4-[methyl(pentyl)amino]-1H-pyrimidin-6-one is CCCCCN(C)c1cc(=O)[nH]c(C)n1.
What is the InChIKey of 2-methyl-4-[methyl(pentyl)amino]-1H-pyrimidin-6-one?
The InChIKey is RJMMQSDALWTCPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-4-5-6-7-14(3)10-8-11(15)13-9(2)12-10/h8H,4-7H2,1-3H3,(H,12,13,15).
What are the key properties of 2-methyl-4-[methyl(pentyl)amino]-1H-pyrimidin-6-one?
2-methyl-4-[methyl(pentyl)amino]-1H-pyrimidin-6-one has a molecular weight of 209.29 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[methyl(pentyl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136957467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).