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

C22H31N5O — CID 25183063

IUPAC6-[cyclopropylmethyl(propyl)amino]-N-[4-[(dimethylamino)methyl]-2-methylphenyl]pyrimidine-4-carboxamide
SMILESCCCN(CC1CC1)c1cc(C(=O)Nc2ccc(CN(C)C)cc2C)ncn1
InChIInChI=1S/C22H31N5O/c1-5-10-27(14-17-6-7-17)21-12-20(23-15-24-21)22(28)25-19-9-8-18(11-16(19)2)13-26(3)4/h8-9,11-12,15,17H,5-7,10,13-14H2,1-4H3,(H,25,28)
InChIKeyNISHNXFTOQXAQG-UHFFFAOYSA-N
MW381.52 g/mol
LogP3.73
Rot. Bonds9

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

6-[cyclopropylmethyl(propyl)amino]-N-[4-[(dimethylamino)methyl]-2-methylphenyl]pyrimidine-4-carboxamide (PubChem CID 25183063) has the molecular formula C22H31N5O and a molecular weight of 381.52 g/mol. Its IUPAC name is 6-[cyclopropylmethyl(propyl)amino]-N-[4-[(dimethylamino)methyl]-2-methylphenyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-[cyclopropylmethyl(propyl)amino]-N-[4-[(dimethylamino)methyl]-2-methylphenyl]pyrimidine-4-carboxamide
PubChem CID25183063
Molecular FormulaC22H31N5O
Molecular Weight381.52 g/mol
Exact Mass381.25
IUPAC Name6-[cyclopropylmethyl(propyl)amino]-N-[4-[(dimethylamino)methyl]-2-methylphenyl]pyrimidine-4-carboxamide
SMILESCCCN(CC1CC1)c1cc(C(=O)Nc2ccc(CN(C)C)cc2C)ncn1
InChIInChI=1S/C22H31N5O/c1-5-10-27(14-17-6-7-17)21-12-20(23-15-24-21)22(28)25-19-9-8-18(11-16(19)2)13-26(3)4/h8-9,11-12,15,17H,5-7,10,13-14H2,1-4H3,(H,25,28)
InChIKeyNISHNXFTOQXAQG-UHFFFAOYSA-N
XLogP3.73
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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
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
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
N-(4-carbamoylphenyl)-6-(cyclohexyl(cyclopropylmethyl)amino)pyrimidine-4-carboxamide
CID 25182778
N-(4-(aminomethyl)phenyl)-6-(cyclohexyl(cyclopropylmethyl)amino)pyrimidine-4-carboxamide
CID 25182902
6-(cyclohexyl(cyclopropylmethyl)amino)-N-(4-((dimethylamino)methyl)phenyl)pyrimidine-4-carboxamide
CID 25182921

Frequently Asked Questions

What is the IUPAC name of 6-[cyclopropylmethyl(propyl)amino]-N-[4-[(dimethylamino)methyl]-2-methylphenyl]pyrimidine-4-carboxamide?
The IUPAC name of 6-[cyclopropylmethyl(propyl)amino]-N-[4-[(dimethylamino)methyl]-2-methylphenyl]pyrimidine-4-carboxamide (CID 25183063) is 6-[cyclopropylmethyl(propyl)amino]-N-[4-[(dimethylamino)methyl]-2-methylphenyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 6-[cyclopropylmethyl(propyl)amino]-N-[4-[(dimethylamino)methyl]-2-methylphenyl]pyrimidine-4-carboxamide?
The canonical SMILES for 6-[cyclopropylmethyl(propyl)amino]-N-[4-[(dimethylamino)methyl]-2-methylphenyl]pyrimidine-4-carboxamide is CCCN(CC1CC1)c1cc(C(=O)Nc2ccc(CN(C)C)cc2C)ncn1.
What is the InChIKey of 6-[cyclopropylmethyl(propyl)amino]-N-[4-[(dimethylamino)methyl]-2-methylphenyl]pyrimidine-4-carboxamide?
The InChIKey is NISHNXFTOQXAQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N5O/c1-5-10-27(14-17-6-7-17)21-12-20(23-15-24-21)22(28)25-19-9-8-18(11-16(19)2)13-26(3)4/h8-9,11-12,15,17H,5-7,10,13-14H2,1-4H3,(H,25,28).
What are the key properties of 6-[cyclopropylmethyl(propyl)amino]-N-[4-[(dimethylamino)methyl]-2-methylphenyl]pyrimidine-4-carboxamide?
6-[cyclopropylmethyl(propyl)amino]-N-[4-[(dimethylamino)methyl]-2-methylphenyl]pyrimidine-4-carboxamide has a molecular weight of 381.52 g/mol, XLogP of 3.73, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[cyclopropylmethyl(propyl)amino]-N-[4-[(dimethylamino)methyl]-2-methylphenyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 25183063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).