4-N-cycloheptyl-6-phenyl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine

C23H27N5 — CID 112937172

IUPAC4-N-cycloheptyl-6-phenyl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
SMILESc1ccc(-c2cc(NC3CCCCCC3)nc(NCc3ccccn3)n2)cc1
InChIInChI=1S/C23H27N5/c1-2-7-13-19(12-6-1)26-22-16-21(18-10-4-3-5-11-18)27-23(28-22)25-17-20-14-8-9-15-24-20/h3-5,8-11,14-16,19H,1-2,6-7,12-13,17H2,(H2,25,26,27,28)
InChIKeyMCNVZVZTEILKRD-UHFFFAOYSA-N
MW373.50 g/mol
LogP5.29
Rot. Bonds6

About 4-N-cycloheptyl-6-phenyl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine

4-N-cycloheptyl-6-phenyl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine (PubChem CID 112937172) has the molecular formula C23H27N5 and a molecular weight of 373.50 g/mol. Its IUPAC name is 4-N-cycloheptyl-6-phenyl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-cycloheptyl-6-phenyl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
PubChem CID112937172
Molecular FormulaC23H27N5
Molecular Weight373.50 g/mol
Exact Mass373.23
IUPAC Name4-N-cycloheptyl-6-phenyl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
SMILESc1ccc(-c2cc(NC3CCCCCC3)nc(NCc3ccccn3)n2)cc1
InChIInChI=1S/C23H27N5/c1-2-7-13-19(12-6-1)26-22-16-21(18-10-4-3-5-11-18)27-23(28-22)25-17-20-14-8-9-15-24-20/h3-5,8-11,14-16,19H,1-2,6-7,12-13,17H2,(H2,25,26,27,28)
InChIKeyMCNVZVZTEILKRD-UHFFFAOYSA-N
XLogP5.29
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.50
LogP ≤ 55.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-N-cycloheptyl-6-phenyl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine with MolForge

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Related Compounds

6-phenyl-4-N-(1-phenylethyl)-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112936948
2-N-[(4-methylphenyl)methyl]-6-phenyl-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112936942
4-N-[(4-fluorophenyl)methyl]-6-phenyl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112937000
4-N-(furan-2-ylmethyl)-6-phenyl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112936733
2,6-diphenyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 59340687
4-N-butyl-2-N-cyclohexyl-6-phenylpyrimidine-2,4-diamine
CID 112933540
2-N-cyclopentyl-6-phenyl-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112934432
4-N-(3-methylphenyl)-6-phenyl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112937182
4-N-cyclopropyl-2-N-[(2-methylphenyl)methyl]-6-phenylpyrimidine-2,4-diamine
CID 112932942
2-[[6-phenyl-2-(pyridin-2-ylmethylamino)pyrimidin-4-yl]amino]benzonitrile
CID 112937214
4-N-cyclopropyl-6-phenyl-2-N-prop-2-enylpyrimidine-2,4-diamine
CID 112932919
4-N-cyclopropyl-2-N-(2-methylpropyl)-6-phenylpyrimidine-2,4-diamine
CID 112932921

Frequently Asked Questions

What is the IUPAC name of 4-N-cycloheptyl-6-phenyl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-cycloheptyl-6-phenyl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine (CID 112937172) is 4-N-cycloheptyl-6-phenyl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-cycloheptyl-6-phenyl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-cycloheptyl-6-phenyl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine is c1ccc(-c2cc(NC3CCCCCC3)nc(NCc3ccccn3)n2)cc1.
What is the InChIKey of 4-N-cycloheptyl-6-phenyl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine?
The InChIKey is MCNVZVZTEILKRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5/c1-2-7-13-19(12-6-1)26-22-16-21(18-10-4-3-5-11-18)27-23(28-22)25-17-20-14-8-9-15-24-20/h3-5,8-11,14-16,19H,1-2,6-7,12-13,17H2,(H2,25,26,27,28).
What are the key properties of 4-N-cycloheptyl-6-phenyl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine?
4-N-cycloheptyl-6-phenyl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine has a molecular weight of 373.50 g/mol, XLogP of 5.29, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cycloheptyl-6-phenyl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112937172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).