2-[benzyl(methyl)amino]-N-(cyclopropylmethyl)-6-morpholin-4-ylpyrimidine-4-carboxamide

C21H27N5O2 — CID 153321092

IUPAC2-[benzyl(methyl)amino]-N-(cyclopropylmethyl)-6-morpholin-4-ylpyrimidine-4-carboxamide
SMILESCN(Cc1ccccc1)c1nc(C(=O)NCC2CC2)cc(N2CCOCC2)n1
InChIInChI=1S/C21H27N5O2/c1-25(15-17-5-3-2-4-6-17)21-23-18(20(27)22-14-16-7-8-16)13-19(24-21)26-9-11-28-12-10-26/h2-6,13,16H,7-12,14-15H2,1H3,(H,22,27)
InChIKeyKEFFPTGMLFPKNQ-UHFFFAOYSA-N
MW381.48 g/mol
LogP2.09
Rot. Bonds7

About 2-[benzyl(methyl)amino]-N-(cyclopropylmethyl)-6-morpholin-4-ylpyrimidine-4-carboxamide

2-[benzyl(methyl)amino]-N-(cyclopropylmethyl)-6-morpholin-4-ylpyrimidine-4-carboxamide (PubChem CID 153321092) has the molecular formula C21H27N5O2 and a molecular weight of 381.48 g/mol. Its IUPAC name is 2-[benzyl(methyl)amino]-N-(cyclopropylmethyl)-6-morpholin-4-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-[benzyl(methyl)amino]-N-(cyclopropylmethyl)-6-morpholin-4-ylpyrimidine-4-carboxamide
PubChem CID153321092
Molecular FormulaC21H27N5O2
Molecular Weight381.48 g/mol
Exact Mass381.22
IUPAC Name2-[benzyl(methyl)amino]-N-(cyclopropylmethyl)-6-morpholin-4-ylpyrimidine-4-carboxamide
SMILESCN(Cc1ccccc1)c1nc(C(=O)NCC2CC2)cc(N2CCOCC2)n1
InChIInChI=1S/C21H27N5O2/c1-25(15-17-5-3-2-4-6-17)21-23-18(20(27)22-14-16-7-8-16)13-19(24-21)26-9-11-28-12-10-26/h2-6,13,16H,7-12,14-15H2,1H3,(H,22,27)
InChIKeyKEFFPTGMLFPKNQ-UHFFFAOYSA-N
XLogP2.09
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[benzyl(methyl)amino]-N-(cyclopropylmethyl)-6-morpholin-4-ylpyrimidine-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 2-[benzyl(methyl)amino]-N-(cyclopropylmethyl)-6-morpholin-4-ylpyrimidine-4-carboxamide?
The IUPAC name of 2-[benzyl(methyl)amino]-N-(cyclopropylmethyl)-6-morpholin-4-ylpyrimidine-4-carboxamide (CID 153321092) is 2-[benzyl(methyl)amino]-N-(cyclopropylmethyl)-6-morpholin-4-ylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-[benzyl(methyl)amino]-N-(cyclopropylmethyl)-6-morpholin-4-ylpyrimidine-4-carboxamide?
The canonical SMILES for 2-[benzyl(methyl)amino]-N-(cyclopropylmethyl)-6-morpholin-4-ylpyrimidine-4-carboxamide is CN(Cc1ccccc1)c1nc(C(=O)NCC2CC2)cc(N2CCOCC2)n1.
What is the InChIKey of 2-[benzyl(methyl)amino]-N-(cyclopropylmethyl)-6-morpholin-4-ylpyrimidine-4-carboxamide?
The InChIKey is KEFFPTGMLFPKNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O2/c1-25(15-17-5-3-2-4-6-17)21-23-18(20(27)22-14-16-7-8-16)13-19(24-21)26-9-11-28-12-10-26/h2-6,13,16H,7-12,14-15H2,1H3,(H,22,27).
What are the key properties of 2-[benzyl(methyl)amino]-N-(cyclopropylmethyl)-6-morpholin-4-ylpyrimidine-4-carboxamide?
2-[benzyl(methyl)amino]-N-(cyclopropylmethyl)-6-morpholin-4-ylpyrimidine-4-carboxamide has a molecular weight of 381.48 g/mol, XLogP of 2.09, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(methyl)amino]-N-(cyclopropylmethyl)-6-morpholin-4-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 153321092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).