N-(cyclopropylmethyl)-6-(dimethylamino)-2-[methyl(2-phenylethyl)amino]pyrimidine-4-carboxamide

C20H27N5O — CID 151095828

IUPACN-(cyclopropylmethyl)-6-(dimethylamino)-2-[methyl(2-phenylethyl)amino]pyrimidine-4-carboxamide
SMILESCN(C)c1cc(C(=O)NCC2CC2)nc(N(C)CCc2ccccc2)n1
InChIInChI=1S/C20H27N5O/c1-24(2)18-13-17(19(26)21-14-16-9-10-16)22-20(23-18)25(3)12-11-15-7-5-4-6-8-15/h4-8,13,16H,9-12,14H2,1-3H3,(H,21,26)
InChIKeyMNBUPWRLQABTMO-UHFFFAOYSA-N
MW353.47 g/mol
LogP2.36
Rot. Bonds8

About N-(cyclopropylmethyl)-6-(dimethylamino)-2-[methyl(2-phenylethyl)amino]pyrimidine-4-carboxamide

N-(cyclopropylmethyl)-6-(dimethylamino)-2-[methyl(2-phenylethyl)amino]pyrimidine-4-carboxamide (PubChem CID 151095828) has the molecular formula C20H27N5O and a molecular weight of 353.47 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-6-(dimethylamino)-2-[methyl(2-phenylethyl)amino]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-6-(dimethylamino)-2-[methyl(2-phenylethyl)amino]pyrimidine-4-carboxamide
PubChem CID151095828
Molecular FormulaC20H27N5O
Molecular Weight353.47 g/mol
Exact Mass353.22
IUPAC NameN-(cyclopropylmethyl)-6-(dimethylamino)-2-[methyl(2-phenylethyl)amino]pyrimidine-4-carboxamide
SMILESCN(C)c1cc(C(=O)NCC2CC2)nc(N(C)CCc2ccccc2)n1
InChIInChI=1S/C20H27N5O/c1-24(2)18-13-17(19(26)21-14-16-9-10-16)22-20(23-18)25(3)12-11-15-7-5-4-6-8-15/h4-8,13,16H,9-12,14H2,1-3H3,(H,21,26)
InChIKeyMNBUPWRLQABTMO-UHFFFAOYSA-N
XLogP2.36
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(cyclopropylmethyl)-6-(dimethylamino)-2-[methyl(2-phenylethyl)amino]pyrimidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-6-(dimethylamino)-2-[methyl(2-phenylethyl)amino]pyrimidine-4-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-6-(dimethylamino)-2-[methyl(2-phenylethyl)amino]pyrimidine-4-carboxamide (CID 151095828) is N-(cyclopropylmethyl)-6-(dimethylamino)-2-[methyl(2-phenylethyl)amino]pyrimidine-4-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-6-(dimethylamino)-2-[methyl(2-phenylethyl)amino]pyrimidine-4-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-6-(dimethylamino)-2-[methyl(2-phenylethyl)amino]pyrimidine-4-carboxamide is CN(C)c1cc(C(=O)NCC2CC2)nc(N(C)CCc2ccccc2)n1.
What is the InChIKey of N-(cyclopropylmethyl)-6-(dimethylamino)-2-[methyl(2-phenylethyl)amino]pyrimidine-4-carboxamide?
The InChIKey is MNBUPWRLQABTMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O/c1-24(2)18-13-17(19(26)21-14-16-9-10-16)22-20(23-18)25(3)12-11-15-7-5-4-6-8-15/h4-8,13,16H,9-12,14H2,1-3H3,(H,21,26).
What are the key properties of N-(cyclopropylmethyl)-6-(dimethylamino)-2-[methyl(2-phenylethyl)amino]pyrimidine-4-carboxamide?
N-(cyclopropylmethyl)-6-(dimethylamino)-2-[methyl(2-phenylethyl)amino]pyrimidine-4-carboxamide has a molecular weight of 353.47 g/mol, XLogP of 2.36, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-6-(dimethylamino)-2-[methyl(2-phenylethyl)amino]pyrimidine-4-carboxamide is sourced from PubChem (CID 151095828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).