N-[5-[(dimethylamino)methyl]-2-methylphenyl]-6-methyl-2-(methylamino)pyrimidine-4-carboxamide

C17H23N5O — CID 100756252

IUPACN-[5-[(dimethylamino)methyl]-2-methylphenyl]-6-methyl-2-(methylamino)pyrimidine-4-carboxamide
SMILESCNc1nc(C)cc(C(=O)Nc2cc(CN(C)C)ccc2C)n1
InChIInChI=1S/C17H23N5O/c1-11-6-7-13(10-22(4)5)9-14(11)20-16(23)15-8-12(2)19-17(18-3)21-15/h6-9H,10H2,1-5H3,(H,20,23)(H,18,19,21)
InChIKeyHVBXRUGIRUNLBU-UHFFFAOYSA-N
MW313.41 g/mol
LogP2.45
Rot. Bonds5

About N-[5-[(dimethylamino)methyl]-2-methylphenyl]-6-methyl-2-(methylamino)pyrimidine-4-carboxamide

N-[5-[(dimethylamino)methyl]-2-methylphenyl]-6-methyl-2-(methylamino)pyrimidine-4-carboxamide (PubChem CID 100756252) has the molecular formula C17H23N5O and a molecular weight of 313.41 g/mol. Its IUPAC name is N-[5-[(dimethylamino)methyl]-2-methylphenyl]-6-methyl-2-(methylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[5-[(dimethylamino)methyl]-2-methylphenyl]-6-methyl-2-(methylamino)pyrimidine-4-carboxamide
PubChem CID100756252
Molecular FormulaC17H23N5O
Molecular Weight313.41 g/mol
Exact Mass313.19
IUPAC NameN-[5-[(dimethylamino)methyl]-2-methylphenyl]-6-methyl-2-(methylamino)pyrimidine-4-carboxamide
SMILESCNc1nc(C)cc(C(=O)Nc2cc(CN(C)C)ccc2C)n1
InChIInChI=1S/C17H23N5O/c1-11-6-7-13(10-22(4)5)9-14(11)20-16(23)15-8-12(2)19-17(18-3)21-15/h6-9H,10H2,1-5H3,(H,20,23)(H,18,19,21)
InChIKeyHVBXRUGIRUNLBU-UHFFFAOYSA-N
XLogP2.45
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.41
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(dimethylamino)propylamino]-N-(2,5-dimethylphenyl)-6-methylpyrimidine-4-carboxamide
CID 109325473
N-(2,5-dimethylphenyl)-6-methyl-2-(propylamino)pyrimidine-4-carboxamide
CID 109318959
2-amino-N-[5-[(dimethylamino)methyl]-2-methylphenyl]acetamide
CID 83624401
N-[5-[(dimethylamino)methyl]-2-methylphenyl]-3-hydroxypyridine-2-carboxamide
CID 167841465
2-hydrazinyl-6-methyl-N-(2-methylphenyl)pyrimidine-4-carboxamide
CID 114220571
2-amino-N-[5-[(dimethylamino)methyl]-2-methylphenyl]propanamide
CID 83624402
N-[5-[(dimethylamino)methyl]-2-methylphenyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride
CID 119895285
N-(2,5-dimethylphenyl)-6-methyl-2-(3-phenylpropylamino)pyrimidine-4-carboxamide
CID 109332465
N-(5-chloro-2-methylphenyl)-2,6-dimethylpyrimidine-4-carboxamide
CID 110859086
N-[4-(diethylamino)-2-methylphenyl]-2-[2-(dimethylamino)ethylamino]-6-methylpyrimidine-4-carboxamide
CID 109325003
N-(5-chloro-2-methylphenyl)-6-methyl-2-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide
CID 109329925
N-[5-[(dimethylamino)methyl]-2-methylphenyl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxamide
CID 166360892

Frequently Asked Questions

What is the IUPAC name of N-[5-[(dimethylamino)methyl]-2-methylphenyl]-6-methyl-2-(methylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-[5-[(dimethylamino)methyl]-2-methylphenyl]-6-methyl-2-(methylamino)pyrimidine-4-carboxamide (CID 100756252) is N-[5-[(dimethylamino)methyl]-2-methylphenyl]-6-methyl-2-(methylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-[5-[(dimethylamino)methyl]-2-methylphenyl]-6-methyl-2-(methylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-[5-[(dimethylamino)methyl]-2-methylphenyl]-6-methyl-2-(methylamino)pyrimidine-4-carboxamide is CNc1nc(C)cc(C(=O)Nc2cc(CN(C)C)ccc2C)n1.
What is the InChIKey of N-[5-[(dimethylamino)methyl]-2-methylphenyl]-6-methyl-2-(methylamino)pyrimidine-4-carboxamide?
The InChIKey is HVBXRUGIRUNLBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O/c1-11-6-7-13(10-22(4)5)9-14(11)20-16(23)15-8-12(2)19-17(18-3)21-15/h6-9H,10H2,1-5H3,(H,20,23)(H,18,19,21).
What are the key properties of N-[5-[(dimethylamino)methyl]-2-methylphenyl]-6-methyl-2-(methylamino)pyrimidine-4-carboxamide?
N-[5-[(dimethylamino)methyl]-2-methylphenyl]-6-methyl-2-(methylamino)pyrimidine-4-carboxamide has a molecular weight of 313.41 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(dimethylamino)methyl]-2-methylphenyl]-6-methyl-2-(methylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 100756252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).