N-butan-2-yl-2-(4-methoxyanilino)-6-methylpyrimidine-4-carboxamide

C17H22N4O2 — CID 109321493

IUPACN-butan-2-yl-2-(4-methoxyanilino)-6-methylpyrimidine-4-carboxamide
SMILESCCC(C)NC(=O)c1cc(C)nc(Nc2ccc(OC)cc2)n1
InChIInChI=1S/C17H22N4O2/c1-5-11(2)18-16(22)15-10-12(3)19-17(21-15)20-13-6-8-14(23-4)9-7-13/h6-11H,5H2,1-4H3,(H,18,22)(H,19,20,21)
InChIKeySMEVRZBBIMPISK-UHFFFAOYSA-N
MW314.39 g/mol
LogP3.07
Rot. Bonds6

About N-butan-2-yl-2-(4-methoxyanilino)-6-methylpyrimidine-4-carboxamide

N-butan-2-yl-2-(4-methoxyanilino)-6-methylpyrimidine-4-carboxamide (PubChem CID 109321493) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is N-butan-2-yl-2-(4-methoxyanilino)-6-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-2-(4-methoxyanilino)-6-methylpyrimidine-4-carboxamide
PubChem CID109321493
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC NameN-butan-2-yl-2-(4-methoxyanilino)-6-methylpyrimidine-4-carboxamide
SMILESCCC(C)NC(=O)c1cc(C)nc(Nc2ccc(OC)cc2)n1
InChIInChI=1S/C17H22N4O2/c1-5-11(2)18-16(22)15-10-12(3)19-17(21-15)20-13-6-8-14(23-4)9-7-13/h6-11H,5H2,1-4H3,(H,18,22)(H,19,20,21)
InChIKeySMEVRZBBIMPISK-UHFFFAOYSA-N
XLogP3.07
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-butan-2-yl-2-(4-methoxyanilino)-6-methylpyrimidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 4-[[4-(butan-2-ylcarbamoyl)-6-methylpyrimidin-2-yl]amino]benzoate
CID 109321533
N-butan-2-yl-4-(4-methoxyanilino)pyridine-2-carboxamide
CID 109203359
2-anilino-N-(4-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109334565
2-(4-methoxyanilino)-N-[2-(4-methoxyphenyl)ethyl]-6-methylpyrimidine-4-carboxamide
CID 109331159
N-butan-2-yl-2-(2,3-dimethylanilino)-6-methylpyrimidine-4-carboxamide
CID 109321464
N-butan-2-yl-2-(tert-butylamino)-6-methylpyrimidine-4-carboxamide
CID 109321438
N-butan-2-yl-6-(4-methoxyanilino)-2-phenylpyrimidine-4-carboxamide
CID 112852605
N-butan-2-yl-2-(2-tert-butylanilino)-6-methylpyrimidine-4-carboxamide
CID 109321474
N-butan-2-yl-2-[2-(2-methoxyphenyl)ethylamino]-6-methylpyrimidine-4-carboxamide
CID 109321407
N-(2,6-difluorophenyl)-2-(4-methoxyanilino)-6-methylpyrimidine-4-carboxamide
CID 109337577
N-(3-chloro-4-fluorophenyl)-2-(4-methoxyanilino)-6-methylpyrimidine-4-carboxamide
CID 109337357
N-(2-fluorophenyl)-2-(4-methoxyanilino)-6-methylpyrimidine-4-carboxamide
CID 109336791

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-(4-methoxyanilino)-6-methylpyrimidine-4-carboxamide?
The IUPAC name of N-butan-2-yl-2-(4-methoxyanilino)-6-methylpyrimidine-4-carboxamide (CID 109321493) is N-butan-2-yl-2-(4-methoxyanilino)-6-methylpyrimidine-4-carboxamide.
What is the SMILES notation for N-butan-2-yl-2-(4-methoxyanilino)-6-methylpyrimidine-4-carboxamide?
The canonical SMILES for N-butan-2-yl-2-(4-methoxyanilino)-6-methylpyrimidine-4-carboxamide is CCC(C)NC(=O)c1cc(C)nc(Nc2ccc(OC)cc2)n1.
What is the InChIKey of N-butan-2-yl-2-(4-methoxyanilino)-6-methylpyrimidine-4-carboxamide?
The InChIKey is SMEVRZBBIMPISK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-5-11(2)18-16(22)15-10-12(3)19-17(21-15)20-13-6-8-14(23-4)9-7-13/h6-11H,5H2,1-4H3,(H,18,22)(H,19,20,21).
What are the key properties of N-butan-2-yl-2-(4-methoxyanilino)-6-methylpyrimidine-4-carboxamide?
N-butan-2-yl-2-(4-methoxyanilino)-6-methylpyrimidine-4-carboxamide has a molecular weight of 314.39 g/mol, XLogP of 3.07, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-(4-methoxyanilino)-6-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109321493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).