6-[cyclopropylmethyl(propyl)amino]-N-[2-methyl-4-(methylaminomethyl)phenyl]pyrimidine-4-carboxamide

C21H29N5O — CID 59446977

IUPAC6-[cyclopropylmethyl(propyl)amino]-N-[2-methyl-4-(methylaminomethyl)phenyl]pyrimidine-4-carboxamide
SMILESCCCN(CC1CC1)c1cc(C(=O)Nc2ccc(CNC)cc2C)ncn1
InChIInChI=1S/C21H29N5O/c1-4-9-26(13-16-5-6-16)20-11-19(23-14-24-20)21(27)25-18-8-7-17(12-22-3)10-15(18)2/h7-8,10-11,14,16,22H,4-6,9,12-13H2,1-3H3,(H,25,27)
InChIKeyKUEUTYLMXITTIX-UHFFFAOYSA-N
MW367.50 g/mol
LogP3.38
Rot. Bonds9

About 6-[cyclopropylmethyl(propyl)amino]-N-[2-methyl-4-(methylaminomethyl)phenyl]pyrimidine-4-carboxamide

6-[cyclopropylmethyl(propyl)amino]-N-[2-methyl-4-(methylaminomethyl)phenyl]pyrimidine-4-carboxamide (PubChem CID 59446977) has the molecular formula C21H29N5O and a molecular weight of 367.50 g/mol. Its IUPAC name is 6-[cyclopropylmethyl(propyl)amino]-N-[2-methyl-4-(methylaminomethyl)phenyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-[cyclopropylmethyl(propyl)amino]-N-[2-methyl-4-(methylaminomethyl)phenyl]pyrimidine-4-carboxamide
PubChem CID59446977
Molecular FormulaC21H29N5O
Molecular Weight367.50 g/mol
Exact Mass367.24
IUPAC Name6-[cyclopropylmethyl(propyl)amino]-N-[2-methyl-4-(methylaminomethyl)phenyl]pyrimidine-4-carboxamide
SMILESCCCN(CC1CC1)c1cc(C(=O)Nc2ccc(CNC)cc2C)ncn1
InChIInChI=1S/C21H29N5O/c1-4-9-26(13-16-5-6-16)20-11-19(23-14-24-20)21(27)25-18-8-7-17(12-22-3)10-15(18)2/h7-8,10-11,14,16,22H,4-6,9,12-13H2,1-3H3,(H,25,27)
InChIKeyKUEUTYLMXITTIX-UHFFFAOYSA-N
XLogP3.38
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.50
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-[cyclopropylmethyl(propyl)amino]-N-[2-methyl-4-(methylaminomethyl)phenyl]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

Related Compounds

Pyrimidine-4,6-dicarboxylic acid bis-(4-fluoro-3-methyl-benzylamide)
CID 5289110
N4,N6-Bis((3-methylphenyl)methyl)pyrimidine-4,6-dicarboxamide
CID 5289109
6-(dipropylamino)-N-(2-methyl-4-sulfamoylphenyl)pyrimidine-4-carboxamide
CID 25182905
4-Pyrimidinecarboxamide,2-amino-6-(3-methylphenyl)-n-(2-pyridinylmethyl)-
CID 44520948
4-Pyrimidinecarboxamide,2-amino-6-(3-methylphenyl)-n-[(3-methyl-2-pyridinyl)methyl]-
CID 44520961
6-cyclopropyl-N-[2-(methylcarbamoyl)-4-propan-2-ylphenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 58548174
6-cyclopropyl-N-[2-(methylcarbamoyl)-4-(trifluoromethyl)phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 58548238
N-[4-cyano-2-(methylcarbamoyl)phenyl]-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 58548329
N4,N6-dibenzylpyrimidine-4,6-dicarboxamide
CID 15052873
1-(4-(6-(Cyclohexyl(cyclopropylmethyl)amino)pyrimidine-4-carboxamido)-3-methylbenzyl)azetidine-3-carboxylic acid
CID 46881623
4-[[4-[(2,4,6-Trimethylphenyl)amino]-2-pyrimidinyl]amino]benzamide
CID 22398430
6-(cyclohexyl(cyclopropylmethyl)amino)-N-(2-methyl-4-sulfamoylphenyl)pyrimidine-4-carboxamide
CID 25182773

Frequently Asked Questions

What is the IUPAC name of 6-[cyclopropylmethyl(propyl)amino]-N-[2-methyl-4-(methylaminomethyl)phenyl]pyrimidine-4-carboxamide?
The IUPAC name of 6-[cyclopropylmethyl(propyl)amino]-N-[2-methyl-4-(methylaminomethyl)phenyl]pyrimidine-4-carboxamide (CID 59446977) is 6-[cyclopropylmethyl(propyl)amino]-N-[2-methyl-4-(methylaminomethyl)phenyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 6-[cyclopropylmethyl(propyl)amino]-N-[2-methyl-4-(methylaminomethyl)phenyl]pyrimidine-4-carboxamide?
The canonical SMILES for 6-[cyclopropylmethyl(propyl)amino]-N-[2-methyl-4-(methylaminomethyl)phenyl]pyrimidine-4-carboxamide is CCCN(CC1CC1)c1cc(C(=O)Nc2ccc(CNC)cc2C)ncn1.
What is the InChIKey of 6-[cyclopropylmethyl(propyl)amino]-N-[2-methyl-4-(methylaminomethyl)phenyl]pyrimidine-4-carboxamide?
The InChIKey is KUEUTYLMXITTIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O/c1-4-9-26(13-16-5-6-16)20-11-19(23-14-24-20)21(27)25-18-8-7-17(12-22-3)10-15(18)2/h7-8,10-11,14,16,22H,4-6,9,12-13H2,1-3H3,(H,25,27).
What are the key properties of 6-[cyclopropylmethyl(propyl)amino]-N-[2-methyl-4-(methylaminomethyl)phenyl]pyrimidine-4-carboxamide?
6-[cyclopropylmethyl(propyl)amino]-N-[2-methyl-4-(methylaminomethyl)phenyl]pyrimidine-4-carboxamide has a molecular weight of 367.50 g/mol, XLogP of 3.38, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[cyclopropylmethyl(propyl)amino]-N-[2-methyl-4-(methylaminomethyl)phenyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 59446977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).