6-(3-chloro-4-methoxyanilino)-N-phenylpyrimidine-4-carboxamide

C18H15ClN4O2 — CID 109355828

IUPAC6-(3-chloro-4-methoxyanilino)-N-phenylpyrimidine-4-carboxamide
SMILESCOc1ccc(Nc2cc(C(=O)Nc3ccccc3)ncn2)cc1Cl
InChIInChI=1S/C18H15ClN4O2/c1-25-16-8-7-13(9-14(16)19)22-17-10-15(20-11-21-17)18(24)23-12-5-3-2-4-6-12/h2-11H,1H3,(H,23,24)(H,20,21,22)
InChIKeyQLGIRJMEPUMAKX-UHFFFAOYSA-N
MW354.80 g/mol
LogP4.13
Rot. Bonds5

About 6-(3-chloro-4-methoxyanilino)-N-phenylpyrimidine-4-carboxamide

6-(3-chloro-4-methoxyanilino)-N-phenylpyrimidine-4-carboxamide (PubChem CID 109355828) has the molecular formula C18H15ClN4O2 and a molecular weight of 354.80 g/mol. Its IUPAC name is 6-(3-chloro-4-methoxyanilino)-N-phenylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(3-chloro-4-methoxyanilino)-N-phenylpyrimidine-4-carboxamide
PubChem CID109355828
Molecular FormulaC18H15ClN4O2
Molecular Weight354.80 g/mol
Exact Mass354.09
IUPAC Name6-(3-chloro-4-methoxyanilino)-N-phenylpyrimidine-4-carboxamide
SMILESCOc1ccc(Nc2cc(C(=O)Nc3ccccc3)ncn2)cc1Cl
InChIInChI=1S/C18H15ClN4O2/c1-25-16-8-7-13(9-14(16)19)22-17-10-15(20-11-21-17)18(24)23-12-5-3-2-4-6-12/h2-11H,1H3,(H,23,24)(H,20,21,22)
InChIKeyQLGIRJMEPUMAKX-UHFFFAOYSA-N
XLogP4.13
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.80
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(3-chloro-4-methoxyanilino)-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109356291
N-(3-chloro-4-methoxyphenyl)-6-(3-methoxyanilino)pyrimidine-4-carboxamide
CID 109358617
6-anilino-N-(3,4-dimethoxyphenyl)pyrimidine-4-carboxamide
CID 109355744
4-(3-chloro-4-methoxyanilino)-N-phenylpyridine-2-carboxamide
CID 109218768
N-(3-chloro-4-methoxyphenyl)-6-(4-cyanoanilino)pyrimidine-4-carboxamide
CID 109358631
6-(3-methoxyanilino)-N-phenylpyrimidine-4-carboxamide
CID 109355832
6-(3,4-dimethoxyanilino)-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109357654
N-butyl-6-(3-chloro-4-methoxyanilino)pyrimidine-4-carboxamide
CID 109340122
N-benzyl-6-(3-chloro-4-methoxyanilino)-N-methylpyrimidine-4-carboxamide
CID 109347955
N-(4-chlorophenyl)-6-(2-methoxyanilino)pyrimidine-4-carboxamide
CID 109358268
6-(4-methylanilino)-N-phenylpyrimidine-4-carboxamide
CID 109355799
N-(3-acetylphenyl)-6-(3,4-dimethoxyanilino)pyrimidine-4-carboxamide
CID 109359259

Frequently Asked Questions

What is the IUPAC name of 6-(3-chloro-4-methoxyanilino)-N-phenylpyrimidine-4-carboxamide?
The IUPAC name of 6-(3-chloro-4-methoxyanilino)-N-phenylpyrimidine-4-carboxamide (CID 109355828) is 6-(3-chloro-4-methoxyanilino)-N-phenylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-(3-chloro-4-methoxyanilino)-N-phenylpyrimidine-4-carboxamide?
The canonical SMILES for 6-(3-chloro-4-methoxyanilino)-N-phenylpyrimidine-4-carboxamide is COc1ccc(Nc2cc(C(=O)Nc3ccccc3)ncn2)cc1Cl.
What is the InChIKey of 6-(3-chloro-4-methoxyanilino)-N-phenylpyrimidine-4-carboxamide?
The InChIKey is QLGIRJMEPUMAKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN4O2/c1-25-16-8-7-13(9-14(16)19)22-17-10-15(20-11-21-17)18(24)23-12-5-3-2-4-6-12/h2-11H,1H3,(H,23,24)(H,20,21,22).
What are the key properties of 6-(3-chloro-4-methoxyanilino)-N-phenylpyrimidine-4-carboxamide?
6-(3-chloro-4-methoxyanilino)-N-phenylpyrimidine-4-carboxamide has a molecular weight of 354.80 g/mol, XLogP of 4.13, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chloro-4-methoxyanilino)-N-phenylpyrimidine-4-carboxamide is sourced from PubChem (CID 109355828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).