6-N-cycloheptyl-2-methyl-4-N-(1-phenylethyl)pyrimidine-4,6-diamine

C20H28N4 — CID 112872077

IUPAC6-N-cycloheptyl-2-methyl-4-N-(1-phenylethyl)pyrimidine-4,6-diamine
SMILESCc1nc(NC2CCCCCC2)cc(NC(C)c2ccccc2)n1
InChIInChI=1S/C20H28N4/c1-15(17-10-6-5-7-11-17)21-19-14-20(23-16(2)22-19)24-18-12-8-3-4-9-13-18/h5-7,10-11,14-15,18H,3-4,8-9,12-13H2,1-2H3,(H2,21,22,23,24)
InChIKeyHPHQCUXZOJLRLV-UHFFFAOYSA-N
MW324.47 g/mol
LogP5.09
Rot. Bonds5

About 6-N-cycloheptyl-2-methyl-4-N-(1-phenylethyl)pyrimidine-4,6-diamine

6-N-cycloheptyl-2-methyl-4-N-(1-phenylethyl)pyrimidine-4,6-diamine (PubChem CID 112872077) has the molecular formula C20H28N4 and a molecular weight of 324.47 g/mol. Its IUPAC name is 6-N-cycloheptyl-2-methyl-4-N-(1-phenylethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-cycloheptyl-2-methyl-4-N-(1-phenylethyl)pyrimidine-4,6-diamine
PubChem CID112872077
Molecular FormulaC20H28N4
Molecular Weight324.47 g/mol
Exact Mass324.23
IUPAC Name6-N-cycloheptyl-2-methyl-4-N-(1-phenylethyl)pyrimidine-4,6-diamine
SMILESCc1nc(NC2CCCCCC2)cc(NC(C)c2ccccc2)n1
InChIInChI=1S/C20H28N4/c1-15(17-10-6-5-7-11-17)21-19-14-20(23-16(2)22-19)24-18-12-8-3-4-9-13-18/h5-7,10-11,14-15,18H,3-4,8-9,12-13H2,1-2H3,(H2,21,22,23,24)
InChIKeyHPHQCUXZOJLRLV-UHFFFAOYSA-N
XLogP5.09
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.47
LogP ≤ 55.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(cycloheptylamino)-2-methyl-N-(1-phenylethyl)pyrimidine-4-carboxamide
CID 109369260
6-N-cyclopropyl-4-N-(1-phenylethyl)pyrimidine-4,6-diamine
CID 112854699
4-N-tert-butyl-2-methyl-6-N-(1-phenylethyl)pyrimidine-4,6-diamine
CID 112872076
2-[[6-(cyclobutylamino)-2-methylpyrimidin-4-yl]amino]propanoic acid
CID 115266537
6-(2-ethylpiperidin-1-yl)-2-methyl-N-(1-phenylethyl)pyrimidin-4-amine
CID 112872082
4-N-cyclohexyl-2-methyl-6-N-(3-methylbutyl)pyrimidine-4,6-diamine
CID 112869040
azepan-1-yl-[2-methyl-6-(1-phenylethylamino)pyrimidin-4-yl]methanone
CID 109369163
4-N-cyclopentyl-2-methyl-6-N-(3-methylbutyl)pyrimidine-4,6-diamine
CID 112868668
4-N-cyclooctyl-2-methylpyrimidine-4,6-diamine
CID 80786651
6-N-(2-fluorophenyl)-2-methyl-4-N-(1-phenylethyl)pyrimidine-4,6-diamine
CID 112872105
2-methyl-4-N-(1-phenylethyl)-6-N-prop-2-enylpyrimidine-4,6-diamine
CID 112867661
4-N-cyclohexyl-6-N-(2-fluorophenyl)-2-methylpyrimidine-4,6-diamine
CID 112869068

Frequently Asked Questions

What is the IUPAC name of 6-N-cycloheptyl-2-methyl-4-N-(1-phenylethyl)pyrimidine-4,6-diamine?
The IUPAC name of 6-N-cycloheptyl-2-methyl-4-N-(1-phenylethyl)pyrimidine-4,6-diamine (CID 112872077) is 6-N-cycloheptyl-2-methyl-4-N-(1-phenylethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-cycloheptyl-2-methyl-4-N-(1-phenylethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-cycloheptyl-2-methyl-4-N-(1-phenylethyl)pyrimidine-4,6-diamine is Cc1nc(NC2CCCCCC2)cc(NC(C)c2ccccc2)n1.
What is the InChIKey of 6-N-cycloheptyl-2-methyl-4-N-(1-phenylethyl)pyrimidine-4,6-diamine?
The InChIKey is HPHQCUXZOJLRLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4/c1-15(17-10-6-5-7-11-17)21-19-14-20(23-16(2)22-19)24-18-12-8-3-4-9-13-18/h5-7,10-11,14-15,18H,3-4,8-9,12-13H2,1-2H3,(H2,21,22,23,24).
What are the key properties of 6-N-cycloheptyl-2-methyl-4-N-(1-phenylethyl)pyrimidine-4,6-diamine?
6-N-cycloheptyl-2-methyl-4-N-(1-phenylethyl)pyrimidine-4,6-diamine has a molecular weight of 324.47 g/mol, XLogP of 5.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-cycloheptyl-2-methyl-4-N-(1-phenylethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 112872077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).