N-ethyl-2-methyl-N-(3-methylphenyl)-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide

C21H23N5O — CID 109371076

IUPACN-ethyl-2-methyl-N-(3-methylphenyl)-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide
SMILESCCN(C(=O)c1cc(NCc2cccnc2)nc(C)n1)c1cccc(C)c1
InChIInChI=1S/C21H23N5O/c1-4-26(18-9-5-7-15(2)11-18)21(27)19-12-20(25-16(3)24-19)23-14-17-8-6-10-22-13-17/h5-13H,4,14H2,1-3H3,(H,23,24,25)
InChIKeyFVBFMRBLYYKKIA-UHFFFAOYSA-N
MW361.45 g/mol
LogP3.77
Rot. Bonds6

About N-ethyl-2-methyl-N-(3-methylphenyl)-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide

N-ethyl-2-methyl-N-(3-methylphenyl)-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide (PubChem CID 109371076) has the molecular formula C21H23N5O and a molecular weight of 361.45 g/mol. Its IUPAC name is N-ethyl-2-methyl-N-(3-methylphenyl)-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-2-methyl-N-(3-methylphenyl)-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide
PubChem CID109371076
Molecular FormulaC21H23N5O
Molecular Weight361.45 g/mol
Exact Mass361.19
IUPAC NameN-ethyl-2-methyl-N-(3-methylphenyl)-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide
SMILESCCN(C(=O)c1cc(NCc2cccnc2)nc(C)n1)c1cccc(C)c1
InChIInChI=1S/C21H23N5O/c1-4-26(18-9-5-7-15(2)11-18)21(27)19-12-20(25-16(3)24-19)23-14-17-8-6-10-22-13-17/h5-13H,4,14H2,1-3H3,(H,23,24,25)
InChIKeyFVBFMRBLYYKKIA-UHFFFAOYSA-N
XLogP3.77
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-2-methyl-6-[(4-methylphenyl)methylamino]-N-phenylpyrimidine-4-carboxamide
CID 109368973
N-ethyl-N-(3-methylphenyl)-6-[(3-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109347136
N-ethyl-6-[(4-methoxyphenyl)methylamino]-2-methyl-N-phenylpyrimidine-4-carboxamide
CID 109370385
6-(benzylamino)-N-ethyl-N-(3-methylphenyl)pyridazine-3-carboxamide
CID 109117833
N-ethyl-2-methyl-N-(3-methylphenyl)-6-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide
CID 109366440
N-(2,6-dichlorophenyl)-2-methyl-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide
CID 109371069
N-ethyl-2-methyl-6-[(2-methylphenyl)methylamino]-N-phenylpyrimidine-4-carboxamide
CID 109368555
N-ethyl-2-methyl-N-phenyl-6-(3-phenylpropylamino)pyrimidine-4-carboxamide
CID 109373544
azepan-1-yl-[2-methyl-6-(pyridin-3-ylmethylamino)pyrimidin-4-yl]methanone
CID 109370993
N-ethyl-6-methyl-N-(3-methylphenyl)-2-[(4-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109327878
N-(2,4-dichlorophenyl)-2-methyl-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide
CID 109371066
N-(3-acetylphenyl)-2-methyl-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide
CID 109371046

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methyl-N-(3-methylphenyl)-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-ethyl-2-methyl-N-(3-methylphenyl)-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide (CID 109371076) is N-ethyl-2-methyl-N-(3-methylphenyl)-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-ethyl-2-methyl-N-(3-methylphenyl)-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-ethyl-2-methyl-N-(3-methylphenyl)-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide is CCN(C(=O)c1cc(NCc2cccnc2)nc(C)n1)c1cccc(C)c1.
What is the InChIKey of N-ethyl-2-methyl-N-(3-methylphenyl)-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide?
The InChIKey is FVBFMRBLYYKKIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O/c1-4-26(18-9-5-7-15(2)11-18)21(27)19-12-20(25-16(3)24-19)23-14-17-8-6-10-22-13-17/h5-13H,4,14H2,1-3H3,(H,23,24,25).
What are the key properties of N-ethyl-2-methyl-N-(3-methylphenyl)-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide?
N-ethyl-2-methyl-N-(3-methylphenyl)-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide has a molecular weight of 361.45 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methyl-N-(3-methylphenyl)-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109371076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).