6-[benzyl(propan-2-yl)amino]-N-(3-methoxyphenyl)-2-methylpyrimidine-4-carboxamide

C23H26N4O2 — CID 112846438

IUPAC6-[benzyl(propan-2-yl)amino]-N-(3-methoxyphenyl)-2-methylpyrimidine-4-carboxamide
SMILESCOc1cccc(NC(=O)c2cc(N(Cc3ccccc3)C(C)C)nc(C)n2)c1
InChIInChI=1S/C23H26N4O2/c1-16(2)27(15-18-9-6-5-7-10-18)22-14-21(24-17(3)25-22)23(28)26-19-11-8-12-20(13-19)29-4/h5-14,16H,15H2,1-4H3,(H,26,28)
InChIKeyJPYORKVYDDBOOZ-UHFFFAOYSA-N
MW390.49 g/mol
LogP4.46
Rot. Bonds7

About 6-[benzyl(propan-2-yl)amino]-N-(3-methoxyphenyl)-2-methylpyrimidine-4-carboxamide

6-[benzyl(propan-2-yl)amino]-N-(3-methoxyphenyl)-2-methylpyrimidine-4-carboxamide (PubChem CID 112846438) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is 6-[benzyl(propan-2-yl)amino]-N-(3-methoxyphenyl)-2-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-[benzyl(propan-2-yl)amino]-N-(3-methoxyphenyl)-2-methylpyrimidine-4-carboxamide
PubChem CID112846438
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC Name6-[benzyl(propan-2-yl)amino]-N-(3-methoxyphenyl)-2-methylpyrimidine-4-carboxamide
SMILESCOc1cccc(NC(=O)c2cc(N(Cc3ccccc3)C(C)C)nc(C)n2)c1
InChIInChI=1S/C23H26N4O2/c1-16(2)27(15-18-9-6-5-7-10-18)22-14-21(24-17(3)25-22)23(28)26-19-11-8-12-20(13-19)29-4/h5-14,16H,15H2,1-4H3,(H,26,28)
InChIKeyJPYORKVYDDBOOZ-UHFFFAOYSA-N
XLogP4.46
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[benzyl(propan-2-yl)amino]-N-(3-chlorophenyl)-2-methylpyrimidine-4-carboxamide
CID 112846435
5-[benzyl(propan-2-yl)amino]-N-(3-methoxyphenyl)pyridine-2-carboxamide
CID 109195478
4-N-benzyl-6-N-(3-methoxyphenyl)-2-methyl-4-N-propan-2-ylpyrimidine-4,6-diamine
CID 112876099
6-(dipropylamino)-N-(3-methoxyphenyl)-2-methylpyrimidine-4-carboxamide
CID 112847508
6-[benzyl(propan-2-yl)amino]-2-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 112846418
6-[benzyl(propan-2-yl)amino]-N-[3-(dimethylamino)propyl]-2-methylpyrimidine-4-carboxamide
CID 109366753
6-(3-methoxyanilino)-N-(3-methoxyphenyl)-2-methylpyrimidine-4-carboxamide
CID 112850479
N-(3-methoxyphenyl)-2-methyl-6-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 112846528
6-[benzyl(methyl)amino]-N-(3-chloro-4-methoxyphenyl)-2-methylpyrimidine-4-carboxamide
CID 109369404
6-N-(3-methoxyphenyl)-2-N-phenylpyridine-2,6-dicarboxamide
CID 109099989
N-(4-methoxyphenyl)-2-methyl-6-(N-methylanilino)pyrimidine-4-carboxamide
CID 112848508
6-(4-methoxyanilino)-N-(3-methoxyphenyl)-2-methylpyrimidine-4-carboxamide
CID 112850511

Frequently Asked Questions

What is the IUPAC name of 6-[benzyl(propan-2-yl)amino]-N-(3-methoxyphenyl)-2-methylpyrimidine-4-carboxamide?
The IUPAC name of 6-[benzyl(propan-2-yl)amino]-N-(3-methoxyphenyl)-2-methylpyrimidine-4-carboxamide (CID 112846438) is 6-[benzyl(propan-2-yl)amino]-N-(3-methoxyphenyl)-2-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-[benzyl(propan-2-yl)amino]-N-(3-methoxyphenyl)-2-methylpyrimidine-4-carboxamide?
The canonical SMILES for 6-[benzyl(propan-2-yl)amino]-N-(3-methoxyphenyl)-2-methylpyrimidine-4-carboxamide is COc1cccc(NC(=O)c2cc(N(Cc3ccccc3)C(C)C)nc(C)n2)c1.
What is the InChIKey of 6-[benzyl(propan-2-yl)amino]-N-(3-methoxyphenyl)-2-methylpyrimidine-4-carboxamide?
The InChIKey is JPYORKVYDDBOOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-16(2)27(15-18-9-6-5-7-10-18)22-14-21(24-17(3)25-22)23(28)26-19-11-8-12-20(13-19)29-4/h5-14,16H,15H2,1-4H3,(H,26,28).
What are the key properties of 6-[benzyl(propan-2-yl)amino]-N-(3-methoxyphenyl)-2-methylpyrimidine-4-carboxamide?
6-[benzyl(propan-2-yl)amino]-N-(3-methoxyphenyl)-2-methylpyrimidine-4-carboxamide has a molecular weight of 390.49 g/mol, XLogP of 4.46, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[benzyl(propan-2-yl)amino]-N-(3-methoxyphenyl)-2-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 112846438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).