N-methyl-N-phenyl-2-(4-propan-2-yloxyanilino)pyrimidine-5-carboxamide

C21H22N4O2 — CID 109265906

IUPACN-methyl-N-phenyl-2-(4-propan-2-yloxyanilino)pyrimidine-5-carboxamide
SMILESCC(C)Oc1ccc(Nc2ncc(C(=O)N(C)c3ccccc3)cn2)cc1
InChIInChI=1S/C21H22N4O2/c1-15(2)27-19-11-9-17(10-12-19)24-21-22-13-16(14-23-21)20(26)25(3)18-7-5-4-6-8-18/h4-15H,1-3H3,(H,22,23,24)
InChIKeyXWYALZFAEFKMQR-UHFFFAOYSA-N
MW362.43 g/mol
LogP4.28
Rot. Bonds6

About N-methyl-N-phenyl-2-(4-propan-2-yloxyanilino)pyrimidine-5-carboxamide

N-methyl-N-phenyl-2-(4-propan-2-yloxyanilino)pyrimidine-5-carboxamide (PubChem CID 109265906) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is N-methyl-N-phenyl-2-(4-propan-2-yloxyanilino)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-methyl-N-phenyl-2-(4-propan-2-yloxyanilino)pyrimidine-5-carboxamide
PubChem CID109265906
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC NameN-methyl-N-phenyl-2-(4-propan-2-yloxyanilino)pyrimidine-5-carboxamide
SMILESCC(C)Oc1ccc(Nc2ncc(C(=O)N(C)c3ccccc3)cn2)cc1
InChIInChI=1S/C21H22N4O2/c1-15(2)27-19-11-9-17(10-12-19)24-21-22-13-16(14-23-21)20(26)25(3)18-7-5-4-6-8-18/h4-15H,1-3H3,(H,22,23,24)
InChIKeyXWYALZFAEFKMQR-UHFFFAOYSA-N
XLogP4.28
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,4-dimethylanilino)-N-methyl-N-phenylpyrimidine-5-carboxamide
CID 109265869
2-(2-fluoroanilino)-N-methyl-N-phenylpyrimidine-5-carboxamide
CID 109265884
6-(N-methylanilino)-N-(4-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 109162323
N-methyl-5-(4-phenoxyanilino)-N-phenylpyridine-3-carboxamide
CID 109242250
2-[2-(4-methoxyphenoxy)ethylamino]-N-methyl-N-phenylpyrimidine-5-carboxamide
CID 109262794
N-(3-chloro-4-methylphenyl)-2-(4-propan-2-yloxyanilino)pyrimidine-5-carboxamide
CID 109269153
N-methyl-N-phenyl-2-(2-phenylethylamino)pyrimidine-5-carboxamide
CID 109259539
2-(4-acetylanilino)-N-ethyl-N-phenylpyrimidine-5-carboxamide
CID 109267607
N-benzyl-N-methyl-5-(4-propan-2-yloxyanilino)pyrazine-2-carboxamide
CID 109281113
6-(4-bromoanilino)-N-methyl-N-phenylpyridine-3-carboxamide
CID 109162360
N-methyl-2-(pentylamino)-N-phenylpyrimidine-5-carboxamide
CID 109263759
N-(2-methylpropyl)-2-(4-phenylmethoxyanilino)pyrimidine-5-carboxamide
CID 109248589

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-phenyl-2-(4-propan-2-yloxyanilino)pyrimidine-5-carboxamide?
The IUPAC name of N-methyl-N-phenyl-2-(4-propan-2-yloxyanilino)pyrimidine-5-carboxamide (CID 109265906) is N-methyl-N-phenyl-2-(4-propan-2-yloxyanilino)pyrimidine-5-carboxamide.
What is the SMILES notation for N-methyl-N-phenyl-2-(4-propan-2-yloxyanilino)pyrimidine-5-carboxamide?
The canonical SMILES for N-methyl-N-phenyl-2-(4-propan-2-yloxyanilino)pyrimidine-5-carboxamide is CC(C)Oc1ccc(Nc2ncc(C(=O)N(C)c3ccccc3)cn2)cc1.
What is the InChIKey of N-methyl-N-phenyl-2-(4-propan-2-yloxyanilino)pyrimidine-5-carboxamide?
The InChIKey is XWYALZFAEFKMQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-15(2)27-19-11-9-17(10-12-19)24-21-22-13-16(14-23-21)20(26)25(3)18-7-5-4-6-8-18/h4-15H,1-3H3,(H,22,23,24).
What are the key properties of N-methyl-N-phenyl-2-(4-propan-2-yloxyanilino)pyrimidine-5-carboxamide?
N-methyl-N-phenyl-2-(4-propan-2-yloxyanilino)pyrimidine-5-carboxamide has a molecular weight of 362.43 g/mol, XLogP of 4.28, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-phenyl-2-(4-propan-2-yloxyanilino)pyrimidine-5-carboxamide is sourced from PubChem (CID 109265906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).