6-(3,4-dimethoxyanilino)-N-ethyl-N-phenylpyrimidine-4-carboxamide

C21H22N4O3 — CID 109357478

IUPAC6-(3,4-dimethoxyanilino)-N-ethyl-N-phenylpyrimidine-4-carboxamide
SMILESCCN(C(=O)c1cc(Nc2ccc(OC)c(OC)c2)ncn1)c1ccccc1
InChIInChI=1S/C21H22N4O3/c1-4-25(16-8-6-5-7-9-16)21(26)17-13-20(23-14-22-17)24-15-10-11-18(27-2)19(12-15)28-3/h5-14H,4H2,1-3H3,(H,22,23,24)
InChIKeyKKQGMCZGRIBOCJ-UHFFFAOYSA-N
MW378.43 g/mol
LogP3.90
Rot. Bonds7

About 6-(3,4-dimethoxyanilino)-N-ethyl-N-phenylpyrimidine-4-carboxamide

6-(3,4-dimethoxyanilino)-N-ethyl-N-phenylpyrimidine-4-carboxamide (PubChem CID 109357478) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is 6-(3,4-dimethoxyanilino)-N-ethyl-N-phenylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(3,4-dimethoxyanilino)-N-ethyl-N-phenylpyrimidine-4-carboxamide
PubChem CID109357478
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC Name6-(3,4-dimethoxyanilino)-N-ethyl-N-phenylpyrimidine-4-carboxamide
SMILESCCN(C(=O)c1cc(Nc2ccc(OC)c(OC)c2)ncn1)c1ccccc1
InChIInChI=1S/C21H22N4O3/c1-4-25(16-8-6-5-7-9-16)21(26)17-13-20(23-14-22-17)24-15-10-11-18(27-2)19(12-15)28-3/h5-14H,4H2,1-3H3,(H,22,23,24)
InChIKeyKKQGMCZGRIBOCJ-UHFFFAOYSA-N
XLogP3.90
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-(4-acetylanilino)-N-ethyl-N-phenylpyrimidine-4-carboxamide
CID 109357483
N-benzyl-6-(3,4-dimethoxyanilino)pyrimidine-4-carboxamide
CID 109346723
N-butyl-6-(3,4-dimethoxyanilino)-N-methylpyrimidine-4-carboxamide
CID 109354790
6-(3-chloro-4-methoxyanilino)-N-ethyl-2-methyl-N-phenylpyrimidine-4-carboxamide
CID 112849522
N-ethyl-6-methoxy-N-phenylpyrimidine-4-carboxamide
CID 121167323
6-anilino-N-(3,4-dimethoxyphenyl)pyrimidine-4-carboxamide
CID 109355744
6-(3,4-dimethoxyanilino)-N-(3-phenylpropyl)pyrimidine-4-carboxamide
CID 109353612
6-(2,4-dimethylanilino)-N-ethyl-N-phenylpyrimidine-4-carboxamide
CID 109356752
N-benzyl-6-(3-chloro-4-methoxyanilino)-N-methylpyrimidine-4-carboxamide
CID 109347955
N-ethyl-6-[2-(3-methoxyphenyl)ethylamino]-N-phenylpyrimidine-4-carboxamide
CID 109351316
4-(2,4-dimethoxyanilino)-N-ethyl-N-phenylpyridine-2-carboxamide
CID 109220278
2-(3,4-dimethoxyanilino)-N-ethyl-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109318089

Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dimethoxyanilino)-N-ethyl-N-phenylpyrimidine-4-carboxamide?
The IUPAC name of 6-(3,4-dimethoxyanilino)-N-ethyl-N-phenylpyrimidine-4-carboxamide (CID 109357478) is 6-(3,4-dimethoxyanilino)-N-ethyl-N-phenylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-(3,4-dimethoxyanilino)-N-ethyl-N-phenylpyrimidine-4-carboxamide?
The canonical SMILES for 6-(3,4-dimethoxyanilino)-N-ethyl-N-phenylpyrimidine-4-carboxamide is CCN(C(=O)c1cc(Nc2ccc(OC)c(OC)c2)ncn1)c1ccccc1.
What is the InChIKey of 6-(3,4-dimethoxyanilino)-N-ethyl-N-phenylpyrimidine-4-carboxamide?
The InChIKey is KKQGMCZGRIBOCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3/c1-4-25(16-8-6-5-7-9-16)21(26)17-13-20(23-14-22-17)24-15-10-11-18(27-2)19(12-15)28-3/h5-14H,4H2,1-3H3,(H,22,23,24).
What are the key properties of 6-(3,4-dimethoxyanilino)-N-ethyl-N-phenylpyrimidine-4-carboxamide?
6-(3,4-dimethoxyanilino)-N-ethyl-N-phenylpyrimidine-4-carboxamide has a molecular weight of 378.43 g/mol, XLogP of 3.90, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dimethoxyanilino)-N-ethyl-N-phenylpyrimidine-4-carboxamide is sourced from PubChem (CID 109357478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).