4-N-cyclobutyl-6-N-methyl-2-phenylpyrimidine-4,6-diamine

C15H18N4 — CID 112559826

IUPAC4-N-cyclobutyl-6-N-methyl-2-phenylpyrimidine-4,6-diamine
SMILESCNc1cc(NC2CCC2)nc(-c2ccccc2)n1
InChIInChI=1S/C15H18N4/c1-16-13-10-14(17-12-8-5-9-12)19-15(18-13)11-6-3-2-4-7-11/h2-4,6-7,10,12H,5,8-9H2,1H3,(H2,16,17,18,19)
InChIKeyZOUFLUYYXHGENU-UHFFFAOYSA-N
MW254.34 g/mol
LogP3.15
Rot. Bonds4

About 4-N-cyclobutyl-6-N-methyl-2-phenylpyrimidine-4,6-diamine

4-N-cyclobutyl-6-N-methyl-2-phenylpyrimidine-4,6-diamine (PubChem CID 112559826) has the molecular formula C15H18N4 and a molecular weight of 254.34 g/mol. Its IUPAC name is 4-N-cyclobutyl-6-N-methyl-2-phenylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-cyclobutyl-6-N-methyl-2-phenylpyrimidine-4,6-diamine
PubChem CID112559826
Molecular FormulaC15H18N4
Molecular Weight254.34 g/mol
Exact Mass254.15
IUPAC Name4-N-cyclobutyl-6-N-methyl-2-phenylpyrimidine-4,6-diamine
SMILESCNc1cc(NC2CCC2)nc(-c2ccccc2)n1
InChIInChI=1S/C15H18N4/c1-16-13-10-14(17-12-8-5-9-12)19-15(18-13)11-6-3-2-4-7-11/h2-4,6-7,10,12H,5,8-9H2,1H3,(H2,16,17,18,19)
InChIKeyZOUFLUYYXHGENU-UHFFFAOYSA-N
XLogP3.15
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopentyl-6-methoxy-2-phenylpyrimidin-4-amine
CID 71031794
4-N-cyclopentyl-6-N-(3-methylbutyl)-2-phenylpyrimidine-4,6-diamine
CID 112880067
6-cyclopropyl-N-methyl-2-phenylpyrimidin-4-amine
CID 63353488
4-N-cyclopropyl-2-phenyl-6-N-propylpyrimidine-4,6-diamine
CID 112879169
N-methyl-2,6-diphenylpyrimidin-4-amine
CID 4713922
4-N-cyclobutyl-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine
CID 80826920
6-chloro-N-cyclopropyl-2-phenylpyrimidin-4-amine
CID 112559616
N-cyclohexyl-2-phenyl-6-pyridin-4-ylpyrimidin-4-amine
CID 5005272
1-[4-[[6-(cyclopentylamino)-2-phenylpyrimidin-4-yl]amino]phenyl]ethanone
CID 112880079
6-(cyclopentylmethoxy)-N-methyl-2-phenylpyrimidin-4-amine
CID 115915948
6-N-cyclohexyl-4-N-(1,1-dioxothiolan-3-yl)-2-phenylpyrimidine-4,6-diamine
CID 112880169
4-N-cyclohexyl-6-N-(furan-2-ylmethyl)-2-phenylpyrimidine-4,6-diamine
CID 112880164

Frequently Asked Questions

What is the IUPAC name of 4-N-cyclobutyl-6-N-methyl-2-phenylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-cyclobutyl-6-N-methyl-2-phenylpyrimidine-4,6-diamine (CID 112559826) is 4-N-cyclobutyl-6-N-methyl-2-phenylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-cyclobutyl-6-N-methyl-2-phenylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-cyclobutyl-6-N-methyl-2-phenylpyrimidine-4,6-diamine is CNc1cc(NC2CCC2)nc(-c2ccccc2)n1.
What is the InChIKey of 4-N-cyclobutyl-6-N-methyl-2-phenylpyrimidine-4,6-diamine?
The InChIKey is ZOUFLUYYXHGENU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4/c1-16-13-10-14(17-12-8-5-9-12)19-15(18-13)11-6-3-2-4-7-11/h2-4,6-7,10,12H,5,8-9H2,1H3,(H2,16,17,18,19).
What are the key properties of 4-N-cyclobutyl-6-N-methyl-2-phenylpyrimidine-4,6-diamine?
4-N-cyclobutyl-6-N-methyl-2-phenylpyrimidine-4,6-diamine has a molecular weight of 254.34 g/mol, XLogP of 3.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclobutyl-6-N-methyl-2-phenylpyrimidine-4,6-diamine is sourced from PubChem (CID 112559826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).