N-(2-methoxyphenyl)-6-methyl-2-(2-methyl-6-propan-2-ylanilino)pyrimidine-4-carboxamide

C23H26N4O2 — CID 109336648

IUPACN-(2-methoxyphenyl)-6-methyl-2-(2-methyl-6-propan-2-ylanilino)pyrimidine-4-carboxamide
SMILESCOc1ccccc1NC(=O)c1cc(C)nc(Nc2c(C)cccc2C(C)C)n1
InChIInChI=1S/C23H26N4O2/c1-14(2)17-10-8-9-15(3)21(17)27-23-24-16(4)13-19(26-23)22(28)25-18-11-6-7-12-20(18)29-5/h6-14H,1-5H3,(H,25,28)(H,24,26,27)
InChIKeyVFIGKGVWTXJNCE-UHFFFAOYSA-N
MW390.49 g/mol
LogP5.22
Rot. Bonds6

About N-(2-methoxyphenyl)-6-methyl-2-(2-methyl-6-propan-2-ylanilino)pyrimidine-4-carboxamide

N-(2-methoxyphenyl)-6-methyl-2-(2-methyl-6-propan-2-ylanilino)pyrimidine-4-carboxamide (PubChem CID 109336648) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-6-methyl-2-(2-methyl-6-propan-2-ylanilino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-6-methyl-2-(2-methyl-6-propan-2-ylanilino)pyrimidine-4-carboxamide
PubChem CID109336648
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC NameN-(2-methoxyphenyl)-6-methyl-2-(2-methyl-6-propan-2-ylanilino)pyrimidine-4-carboxamide
SMILESCOc1ccccc1NC(=O)c1cc(C)nc(Nc2c(C)cccc2C(C)C)n1
InChIInChI=1S/C23H26N4O2/c1-14(2)17-10-8-9-15(3)21(17)27-23-24-16(4)13-19(26-23)22(28)25-18-11-6-7-12-20(18)29-5/h6-14H,1-5H3,(H,25,28)(H,24,26,27)
InChIKeyVFIGKGVWTXJNCE-UHFFFAOYSA-N
XLogP5.22
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.49
LogP ≤ 55.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,6-difluoroanilino)-N-(2-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109337483
N-(2-methoxyphenyl)-6-methyl-2-(3-methylanilino)pyrimidine-4-carboxamide
CID 109334921
6-methyl-N-(2-methylphenyl)-2-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 109334845
2-(2-fluoroanilino)-N-(2-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109336731
N-(5-chloro-2-methoxyphenyl)-6-methyl-2-(2-methylanilino)pyrimidine-4-carboxamide
CID 109334755
2-(4-tert-butylanilino)-N-(2-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109336694
2-(2-cyanoanilino)-N-(2-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109337478
2-(4-ethoxyanilino)-N-(2-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109337457
2-(3-methoxyanilino)-6-methyl-N-(2-propan-2-yloxyphenyl)pyrimidine-4-carboxamide
CID 109337491
6-N-(2-methoxyphenyl)-2-N-(2-propan-2-ylphenyl)pyridine-2,6-dicarboxamide
CID 109100651
2-(2-methoxyanilino)-6-methyl-N-(4-propan-2-yloxyphenyl)pyrimidine-4-carboxamide
CID 109337428
N-(2,3-dimethylphenyl)-2-(2-methoxy-5-methylanilino)-6-methylpyrimidine-4-carboxamide
CID 109336145

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-6-methyl-2-(2-methyl-6-propan-2-ylanilino)pyrimidine-4-carboxamide?
The IUPAC name of N-(2-methoxyphenyl)-6-methyl-2-(2-methyl-6-propan-2-ylanilino)pyrimidine-4-carboxamide (CID 109336648) is N-(2-methoxyphenyl)-6-methyl-2-(2-methyl-6-propan-2-ylanilino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(2-methoxyphenyl)-6-methyl-2-(2-methyl-6-propan-2-ylanilino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(2-methoxyphenyl)-6-methyl-2-(2-methyl-6-propan-2-ylanilino)pyrimidine-4-carboxamide is COc1ccccc1NC(=O)c1cc(C)nc(Nc2c(C)cccc2C(C)C)n1.
What is the InChIKey of N-(2-methoxyphenyl)-6-methyl-2-(2-methyl-6-propan-2-ylanilino)pyrimidine-4-carboxamide?
The InChIKey is VFIGKGVWTXJNCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-14(2)17-10-8-9-15(3)21(17)27-23-24-16(4)13-19(26-23)22(28)25-18-11-6-7-12-20(18)29-5/h6-14H,1-5H3,(H,25,28)(H,24,26,27).
What are the key properties of N-(2-methoxyphenyl)-6-methyl-2-(2-methyl-6-propan-2-ylanilino)pyrimidine-4-carboxamide?
N-(2-methoxyphenyl)-6-methyl-2-(2-methyl-6-propan-2-ylanilino)pyrimidine-4-carboxamide has a molecular weight of 390.49 g/mol, XLogP of 5.22, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-6-methyl-2-(2-methyl-6-propan-2-ylanilino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109336648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).