2-methyl-6-(3-methylbutylamino)-N-(2-phenoxyphenyl)pyrimidine-4-carboxamide

C23H26N4O2 — CID 112846570

IUPAC2-methyl-6-(3-methylbutylamino)-N-(2-phenoxyphenyl)pyrimidine-4-carboxamide
SMILESCc1nc(NCCC(C)C)cc(C(=O)Nc2ccccc2Oc2ccccc2)n1
InChIInChI=1S/C23H26N4O2/c1-16(2)13-14-24-22-15-20(25-17(3)26-22)23(28)27-19-11-7-8-12-21(19)29-18-9-5-4-6-10-18/h4-12,15-16H,13-14H2,1-3H3,(H,27,28)(H,24,25,26)
InChIKeyYAQZPCKHBHWCGI-UHFFFAOYSA-N
MW390.49 g/mol
LogP5.29
Rot. Bonds8

About 2-methyl-6-(3-methylbutylamino)-N-(2-phenoxyphenyl)pyrimidine-4-carboxamide

2-methyl-6-(3-methylbutylamino)-N-(2-phenoxyphenyl)pyrimidine-4-carboxamide (PubChem CID 112846570) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is 2-methyl-6-(3-methylbutylamino)-N-(2-phenoxyphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-methyl-6-(3-methylbutylamino)-N-(2-phenoxyphenyl)pyrimidine-4-carboxamide
PubChem CID112846570
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC Name2-methyl-6-(3-methylbutylamino)-N-(2-phenoxyphenyl)pyrimidine-4-carboxamide
SMILESCc1nc(NCCC(C)C)cc(C(=O)Nc2ccccc2Oc2ccccc2)n1
InChIInChI=1S/C23H26N4O2/c1-16(2)13-14-24-22-15-20(25-17(3)26-22)23(28)27-19-11-7-8-12-21(19)29-18-9-5-4-6-10-18/h4-12,15-16H,13-14H2,1-3H3,(H,27,28)(H,24,25,26)
InChIKeyYAQZPCKHBHWCGI-UHFFFAOYSA-N
XLogP5.29
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.49
LogP ≤ 55.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-[2-(dimethylamino)ethylamino]-2-methyl-N-(2-phenoxyphenyl)pyrimidine-4-carboxamide
CID 109366141
2-methyl-6-N-(3-methylbutyl)-4-N-(2-phenoxyphenyl)pyrimidine-4,6-diamine
CID 112876216
N-(3-methoxyphenyl)-2-methyl-6-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 112846528
N-(2-bromo-4-methylphenyl)-2-methyl-6-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 112846561
N-(4-chloro-2-methoxy-5-methylphenyl)-2-methyl-6-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 112846579
N-(3-acetamidophenyl)-2-methyl-6-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 112846543
6-(benzylamino)-N-(2-ethoxyphenyl)-2-methylpyrimidine-4-carboxamide
CID 109368315
N-(3-methoxypropyl)-2-methyl-6-(2-phenoxyanilino)pyrimidine-4-carboxamide
CID 109365314
2-methyl-6-(2-phenoxyanilino)-N-prop-2-enylpyrimidine-4-carboxamide
CID 109361525
N-cyclopentyl-2-methyl-6-(2-phenoxyanilino)pyrimidine-4-carboxamide
CID 109363408
N-(2-ethylphenyl)-6-(2-methoxyethylamino)-2-methylpyrimidine-4-carboxamide
CID 109364710
6-(2-methoxyethylamino)-2-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 109364686

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(3-methylbutylamino)-N-(2-phenoxyphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-methyl-6-(3-methylbutylamino)-N-(2-phenoxyphenyl)pyrimidine-4-carboxamide (CID 112846570) is 2-methyl-6-(3-methylbutylamino)-N-(2-phenoxyphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-methyl-6-(3-methylbutylamino)-N-(2-phenoxyphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-methyl-6-(3-methylbutylamino)-N-(2-phenoxyphenyl)pyrimidine-4-carboxamide is Cc1nc(NCCC(C)C)cc(C(=O)Nc2ccccc2Oc2ccccc2)n1.
What is the InChIKey of 2-methyl-6-(3-methylbutylamino)-N-(2-phenoxyphenyl)pyrimidine-4-carboxamide?
The InChIKey is YAQZPCKHBHWCGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-16(2)13-14-24-22-15-20(25-17(3)26-22)23(28)27-19-11-7-8-12-21(19)29-18-9-5-4-6-10-18/h4-12,15-16H,13-14H2,1-3H3,(H,27,28)(H,24,25,26).
What are the key properties of 2-methyl-6-(3-methylbutylamino)-N-(2-phenoxyphenyl)pyrimidine-4-carboxamide?
2-methyl-6-(3-methylbutylamino)-N-(2-phenoxyphenyl)pyrimidine-4-carboxamide has a molecular weight of 390.49 g/mol, XLogP of 5.29, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(3-methylbutylamino)-N-(2-phenoxyphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 112846570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).