N-methyl-2-(2-phenoxyanilino)-N-phenylpyrimidine-4-carboxamide

C24H20N4O2 — CID 109314355

IUPACN-methyl-2-(2-phenoxyanilino)-N-phenylpyrimidine-4-carboxamide
SMILESCN(C(=O)c1ccnc(Nc2ccccc2Oc2ccccc2)n1)c1ccccc1
InChIInChI=1S/C24H20N4O2/c1-28(18-10-4-2-5-11-18)23(29)21-16-17-25-24(27-21)26-20-14-8-9-15-22(20)30-19-12-6-3-7-13-19/h2-17H,1H3,(H,25,26,27)
InChIKeyDOAPHAZLVQGIBK-UHFFFAOYSA-N
MW396.45 g/mol
LogP5.29
Rot. Bonds6

About N-methyl-2-(2-phenoxyanilino)-N-phenylpyrimidine-4-carboxamide

N-methyl-2-(2-phenoxyanilino)-N-phenylpyrimidine-4-carboxamide (PubChem CID 109314355) has the molecular formula C24H20N4O2 and a molecular weight of 396.45 g/mol. Its IUPAC name is N-methyl-2-(2-phenoxyanilino)-N-phenylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-methyl-2-(2-phenoxyanilino)-N-phenylpyrimidine-4-carboxamide
PubChem CID109314355
Molecular FormulaC24H20N4O2
Molecular Weight396.45 g/mol
Exact Mass396.16
IUPAC NameN-methyl-2-(2-phenoxyanilino)-N-phenylpyrimidine-4-carboxamide
SMILESCN(C(=O)c1ccnc(Nc2ccccc2Oc2ccccc2)n1)c1ccccc1
InChIInChI=1S/C24H20N4O2/c1-28(18-10-4-2-5-11-18)23(29)21-16-17-25-24(27-21)26-20-14-8-9-15-22(20)30-19-12-6-3-7-13-19/h2-17H,1H3,(H,25,26,27)
InChIKeyDOAPHAZLVQGIBK-UHFFFAOYSA-N
XLogP5.29
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.45
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-anilino-N-methyl-N-phenylpyrimidine-4-carboxamide
CID 109313399
2-(2-ethylanilino)-N-methyl-N-phenylpyrimidine-4-carboxamide
CID 109314288
N-methyl-2-(4-methylanilino)-N-phenylpyrimidine-4-carboxamide
CID 109313994
ethyl 2-[[4-[methyl(phenyl)carbamoyl]pyrimidin-2-yl]amino]benzoate
CID 109314366
2-(2-phenoxyanilino)-N-prop-2-enylpyrimidine-4-carboxamide
CID 109296281
4-N-benzyl-4-N-methyl-2-N-(2-phenoxyphenyl)pyrimidine-2,4-diamine
CID 112890932
N-methyl-6-phenoxy-N-phenylpyridine-2-carboxamide
CID 59881185
2-(butan-2-ylamino)-N-methyl-N-phenylpyrimidine-4-carboxamide
CID 109297170
2-(2-ethoxyanilino)-N,N-dipropylpyrimidine-4-carboxamide
CID 109313024
2-(2-methoxyanilino)-N,N-dipropylpyrimidine-4-carboxamide
CID 109313021
2-N-(2-methylphenyl)-4-N-(2-phenoxyphenyl)pyrimidine-2,4-diamine
CID 112901866
N-(2-phenoxyphenyl)-4-pyrrolidin-1-ylpyrimidin-2-amine
CID 112883965

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(2-phenoxyanilino)-N-phenylpyrimidine-4-carboxamide?
The IUPAC name of N-methyl-2-(2-phenoxyanilino)-N-phenylpyrimidine-4-carboxamide (CID 109314355) is N-methyl-2-(2-phenoxyanilino)-N-phenylpyrimidine-4-carboxamide.
What is the SMILES notation for N-methyl-2-(2-phenoxyanilino)-N-phenylpyrimidine-4-carboxamide?
The canonical SMILES for N-methyl-2-(2-phenoxyanilino)-N-phenylpyrimidine-4-carboxamide is CN(C(=O)c1ccnc(Nc2ccccc2Oc2ccccc2)n1)c1ccccc1.
What is the InChIKey of N-methyl-2-(2-phenoxyanilino)-N-phenylpyrimidine-4-carboxamide?
The InChIKey is DOAPHAZLVQGIBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O2/c1-28(18-10-4-2-5-11-18)23(29)21-16-17-25-24(27-21)26-20-14-8-9-15-22(20)30-19-12-6-3-7-13-19/h2-17H,1H3,(H,25,26,27).
What are the key properties of N-methyl-2-(2-phenoxyanilino)-N-phenylpyrimidine-4-carboxamide?
N-methyl-2-(2-phenoxyanilino)-N-phenylpyrimidine-4-carboxamide has a molecular weight of 396.45 g/mol, XLogP of 5.29, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(2-phenoxyanilino)-N-phenylpyrimidine-4-carboxamide is sourced from PubChem (CID 109314355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).