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

C23H26N4O2 — CID 112846437

IUPAC6-[benzyl(propan-2-yl)amino]-N-(2-methoxyphenyl)-2-methylpyrimidine-4-carboxamide
SMILESCOc1ccccc1NC(=O)c1cc(N(Cc2ccccc2)C(C)C)nc(C)n1
InChIInChI=1S/C23H26N4O2/c1-16(2)27(15-18-10-6-5-7-11-18)22-14-20(24-17(3)25-22)23(28)26-19-12-8-9-13-21(19)29-4/h5-14,16H,15H2,1-4H3,(H,26,28)
InChIKeyGURNMTYGJHJSHW-UHFFFAOYSA-N
MW390.49 g/mol
LogP4.46
Rot. Bonds7

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

6-[benzyl(propan-2-yl)amino]-N-(2-methoxyphenyl)-2-methylpyrimidine-4-carboxamide (PubChem CID 112846437) 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-(2-methoxyphenyl)-2-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-[benzyl(propan-2-yl)amino]-N-(2-methoxyphenyl)-2-methylpyrimidine-4-carboxamide
PubChem CID112846437
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC Name6-[benzyl(propan-2-yl)amino]-N-(2-methoxyphenyl)-2-methylpyrimidine-4-carboxamide
SMILESCOc1ccccc1NC(=O)c1cc(N(Cc2ccccc2)C(C)C)nc(C)n1
InChIInChI=1S/C23H26N4O2/c1-16(2)27(15-18-10-6-5-7-11-18)22-14-20(24-17(3)25-22)23(28)26-19-12-8-9-13-21(19)29-4/h5-14,16H,15H2,1-4H3,(H,26,28)
InChIKeyGURNMTYGJHJSHW-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-methoxyphenyl)-2-methylpyrimidine-4-carboxamide
CID 112846438
6-[benzyl(propan-2-yl)amino]-N-(2-methoxyphenyl)pyridine-3-carboxamide
CID 109161100
6-[benzyl(propan-2-yl)amino]-N-(3-chlorophenyl)-2-methylpyrimidine-4-carboxamide
CID 112846435
6-[benzyl(propan-2-yl)amino]-N-[3-(dimethylamino)propyl]-2-methylpyrimidine-4-carboxamide
CID 109366753
6-[benzyl(propan-2-yl)amino]-2-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 112846418
N-(2-methoxyphenyl)-2-methyl-6-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-4-carboxamide
CID 109372292
6-[benzyl(propan-2-yl)amino]-N-(2-methylphenyl)pyrimidine-4-carboxamide
CID 109354111
6-[benzyl(methyl)amino]-N-(2-chlorophenyl)-2-methylpyrimidine-4-carboxamide
CID 109369396
6-[benzyl(methyl)amino]-N-(2-ethylphenyl)-2-methylpyrimidine-4-carboxamide
CID 109369385
[6-[benzyl(propan-2-yl)amino]-2-methylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone
CID 109362945
6-[benzyl(methyl)amino]-N-(2-fluorophenyl)-2-methylpyrimidine-4-carboxamide
CID 109369394
6-[benzyl(methyl)amino]-N-(3-chloro-4-methoxyphenyl)-2-methylpyrimidine-4-carboxamide
CID 109369404

Frequently Asked Questions

What is the IUPAC name of 6-[benzyl(propan-2-yl)amino]-N-(2-methoxyphenyl)-2-methylpyrimidine-4-carboxamide?
The IUPAC name of 6-[benzyl(propan-2-yl)amino]-N-(2-methoxyphenyl)-2-methylpyrimidine-4-carboxamide (CID 112846437) is 6-[benzyl(propan-2-yl)amino]-N-(2-methoxyphenyl)-2-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-[benzyl(propan-2-yl)amino]-N-(2-methoxyphenyl)-2-methylpyrimidine-4-carboxamide?
The canonical SMILES for 6-[benzyl(propan-2-yl)amino]-N-(2-methoxyphenyl)-2-methylpyrimidine-4-carboxamide is COc1ccccc1NC(=O)c1cc(N(Cc2ccccc2)C(C)C)nc(C)n1.
What is the InChIKey of 6-[benzyl(propan-2-yl)amino]-N-(2-methoxyphenyl)-2-methylpyrimidine-4-carboxamide?
The InChIKey is GURNMTYGJHJSHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-16(2)27(15-18-10-6-5-7-11-18)22-14-20(24-17(3)25-22)23(28)26-19-12-8-9-13-21(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-(2-methoxyphenyl)-2-methylpyrimidine-4-carboxamide?
6-[benzyl(propan-2-yl)amino]-N-(2-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-(2-methoxyphenyl)-2-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 112846437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).