2-N-cyclopropyl-4-N-methyl-6-phenyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine

C21H23N5 — CID 112933123

IUPAC2-N-cyclopropyl-4-N-methyl-6-phenyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine
SMILESCN(CCc1ccncc1)c1cc(-c2ccccc2)nc(NC2CC2)n1
InChIInChI=1S/C21H23N5/c1-26(14-11-16-9-12-22-13-10-16)20-15-19(17-5-3-2-4-6-17)24-21(25-20)23-18-7-8-18/h2-6,9-10,12-13,15,18H,7-8,11,14H2,1H3,(H,23,24,25)
InChIKeyGISAEFGQIPTZHB-UHFFFAOYSA-N
MW345.45 g/mol
LogP3.79
Rot. Bonds7

About 2-N-cyclopropyl-4-N-methyl-6-phenyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine

2-N-cyclopropyl-4-N-methyl-6-phenyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine (PubChem CID 112933123) has the molecular formula C21H23N5 and a molecular weight of 345.45 g/mol. Its IUPAC name is 2-N-cyclopropyl-4-N-methyl-6-phenyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-cyclopropyl-4-N-methyl-6-phenyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine
PubChem CID112933123
Molecular FormulaC21H23N5
Molecular Weight345.45 g/mol
Exact Mass345.20
IUPAC Name2-N-cyclopropyl-4-N-methyl-6-phenyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine
SMILESCN(CCc1ccncc1)c1cc(-c2ccccc2)nc(NC2CC2)n1
InChIInChI=1S/C21H23N5/c1-26(14-11-16-9-12-22-13-10-16)20-15-19(17-5-3-2-4-6-17)24-21(25-20)23-18-7-8-18/h2-6,9-10,12-13,15,18H,7-8,11,14H2,1H3,(H,23,24,25)
InChIKeyGISAEFGQIPTZHB-UHFFFAOYSA-N
XLogP3.79
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N-cyclopropyl-4-N-methyl-6-phenyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-cyclopropyl-4-N-methyl-6-phenyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine (CID 112933123) is 2-N-cyclopropyl-4-N-methyl-6-phenyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-cyclopropyl-4-N-methyl-6-phenyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-cyclopropyl-4-N-methyl-6-phenyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine is CN(CCc1ccncc1)c1cc(-c2ccccc2)nc(NC2CC2)n1.
What is the InChIKey of 2-N-cyclopropyl-4-N-methyl-6-phenyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine?
The InChIKey is GISAEFGQIPTZHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5/c1-26(14-11-16-9-12-22-13-10-16)20-15-19(17-5-3-2-4-6-17)24-21(25-20)23-18-7-8-18/h2-6,9-10,12-13,15,18H,7-8,11,14H2,1H3,(H,23,24,25).
What are the key properties of 2-N-cyclopropyl-4-N-methyl-6-phenyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine?
2-N-cyclopropyl-4-N-methyl-6-phenyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine has a molecular weight of 345.45 g/mol, XLogP of 3.79, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cyclopropyl-4-N-methyl-6-phenyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112933123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).