N-(3-chloro-4-methoxyphenyl)-6-(N-ethylanilino)pyrimidine-4-carboxamide

C20H19ClN4O2 — CID 109357414

IUPACN-(3-chloro-4-methoxyphenyl)-6-(N-ethylanilino)pyrimidine-4-carboxamide
SMILESCCN(c1ccccc1)c1cc(C(=O)Nc2ccc(OC)c(Cl)c2)ncn1
InChIInChI=1S/C20H19ClN4O2/c1-3-25(15-7-5-4-6-8-15)19-12-17(22-13-23-19)20(26)24-14-9-10-18(27-2)16(21)11-14/h4-13H,3H2,1-2H3,(H,24,26)
InChIKeyBZACUUCIWNJELE-UHFFFAOYSA-N
MW382.85 g/mol
LogP4.55
Rot. Bonds6

About N-(3-chloro-4-methoxyphenyl)-6-(N-ethylanilino)pyrimidine-4-carboxamide

N-(3-chloro-4-methoxyphenyl)-6-(N-ethylanilino)pyrimidine-4-carboxamide (PubChem CID 109357414) has the molecular formula C20H19ClN4O2 and a molecular weight of 382.85 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-6-(N-ethylanilino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-6-(N-ethylanilino)pyrimidine-4-carboxamide
PubChem CID109357414
Molecular FormulaC20H19ClN4O2
Molecular Weight382.85 g/mol
Exact Mass382.12
IUPAC NameN-(3-chloro-4-methoxyphenyl)-6-(N-ethylanilino)pyrimidine-4-carboxamide
SMILESCCN(c1ccccc1)c1cc(C(=O)Nc2ccc(OC)c(Cl)c2)ncn1
InChIInChI=1S/C20H19ClN4O2/c1-3-25(15-7-5-4-6-8-15)19-12-17(22-13-23-19)20(26)24-14-9-10-18(27-2)16(21)11-14/h4-13H,3H2,1-2H3,(H,24,26)
InChIKeyBZACUUCIWNJELE-UHFFFAOYSA-N
XLogP4.55
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.85
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-bromophenyl)-6-(N-ethylanilino)pyrimidine-4-carboxamide
CID 109357416
N-(2,4-dimethoxyphenyl)-6-(N-ethylanilino)pyrimidine-4-carboxamide
CID 109357426
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(N-ethylanilino)pyrimidine-4-carboxamide
CID 109357445
N-(4-cyanophenyl)-6-(N-ethylanilino)pyrimidine-4-carboxamide
CID 109357453
N-(2-ethoxyphenyl)-6-(N-ethylanilino)pyrimidine-4-carboxamide
CID 109357420
6-(N-ethylanilino)-N-(2-methylphenyl)pyrimidine-4-carboxamide
CID 109355985
6-(N-ethyl-3-methylanilino)-N-(2-methoxyphenyl)pyrimidine-4-carboxamide
CID 109358783
6-(3-chloro-4-methoxyanilino)-N-phenylpyrimidine-4-carboxamide
CID 109355828
3-(3-chloro-4-methoxyphenyl)-1-ethyl-1-phenylurea
CID 108991522
N-(3-chloro-4-methoxyphenyl)-6-(diethylamino)-2-methylpyrimidine-4-carboxamide
CID 109373325
N-(3-chloro-4-methoxyphenyl)-6-(N-methylanilino)pyridazine-3-carboxamide
CID 109127167
N-(2,5-dimethoxyphenyl)-6-(N-ethyl-3-methylanilino)pyrimidine-4-carboxamide
CID 109359227

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-6-(N-ethylanilino)pyrimidine-4-carboxamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-6-(N-ethylanilino)pyrimidine-4-carboxamide (CID 109357414) is N-(3-chloro-4-methoxyphenyl)-6-(N-ethylanilino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-6-(N-ethylanilino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-6-(N-ethylanilino)pyrimidine-4-carboxamide is CCN(c1ccccc1)c1cc(C(=O)Nc2ccc(OC)c(Cl)c2)ncn1.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-6-(N-ethylanilino)pyrimidine-4-carboxamide?
The InChIKey is BZACUUCIWNJELE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O2/c1-3-25(15-7-5-4-6-8-15)19-12-17(22-13-23-19)20(26)24-14-9-10-18(27-2)16(21)11-14/h4-13H,3H2,1-2H3,(H,24,26).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-6-(N-ethylanilino)pyrimidine-4-carboxamide?
N-(3-chloro-4-methoxyphenyl)-6-(N-ethylanilino)pyrimidine-4-carboxamide has a molecular weight of 382.85 g/mol, XLogP of 4.55, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-6-(N-ethylanilino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109357414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).