N-(3-chloro-2-methylphenyl)-2-(4-ethylanilino)pyrimidine-4-carboxamide

C20H19ClN4O — CID 109315663

IUPACN-(3-chloro-2-methylphenyl)-2-(4-ethylanilino)pyrimidine-4-carboxamide
SMILESCCc1ccc(Nc2nccc(C(=O)Nc3cccc(Cl)c3C)n2)cc1
InChIInChI=1S/C20H19ClN4O/c1-3-14-7-9-15(10-8-14)23-20-22-12-11-18(25-20)19(26)24-17-6-4-5-16(21)13(17)2/h4-12H,3H2,1-2H3,(H,24,26)(H,22,23,25)
InChIKeyNDNUGIFKJZKJSR-UHFFFAOYSA-N
MW366.85 g/mol
LogP5.00
Rot. Bonds5

About N-(3-chloro-2-methylphenyl)-2-(4-ethylanilino)pyrimidine-4-carboxamide

N-(3-chloro-2-methylphenyl)-2-(4-ethylanilino)pyrimidine-4-carboxamide (PubChem CID 109315663) has the molecular formula C20H19ClN4O and a molecular weight of 366.85 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-2-(4-ethylanilino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-2-(4-ethylanilino)pyrimidine-4-carboxamide
PubChem CID109315663
Molecular FormulaC20H19ClN4O
Molecular Weight366.85 g/mol
Exact Mass366.12
IUPAC NameN-(3-chloro-2-methylphenyl)-2-(4-ethylanilino)pyrimidine-4-carboxamide
SMILESCCc1ccc(Nc2nccc(C(=O)Nc3cccc(Cl)c3C)n2)cc1
InChIInChI=1S/C20H19ClN4O/c1-3-14-7-9-15(10-8-14)23-20-22-12-11-18(25-20)19(26)24-17-6-4-5-16(21)13(17)2/h4-12H,3H2,1-2H3,(H,24,26)(H,22,23,25)
InChIKeyNDNUGIFKJZKJSR-UHFFFAOYSA-N
XLogP5.00
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.85
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-2-methylphenyl)-2-[4-(dimethylamino)anilino]pyrimidine-4-carboxamide
CID 109317094
2-(3-chloroanilino)-N-(3-chloro-2-methylphenyl)pyrimidine-4-carboxamide
CID 109316816
2-(2-chloroanilino)-N-(3-chloro-2-methylphenyl)pyrimidine-4-carboxamide
CID 109316704
2-(3-chloro-2-methylanilino)-N-(4-chlorophenyl)pyrimidine-4-carboxamide
CID 109316980
2-(4-acetamidoanilino)-N-(4-ethylphenyl)pyrimidine-4-carboxamide
CID 109315753
N-(2,6-difluorophenyl)-2-(4-ethylanilino)pyrimidine-4-carboxamide
CID 109315717
N-(3-chloro-2-methylphenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyrimidine-4-carboxamide
CID 109317097
N-(3-chloro-2-methylphenyl)-2-[(4-methoxyphenyl)methylamino]pyrimidine-4-carboxamide
CID 109306395
2-(4-bromoanilino)-N-(2,3-dimethylphenyl)pyrimidine-4-carboxamide
CID 109315471
N-(3-chloro-2-methylphenyl)-2-(2-cyanoanilino)pyrimidine-4-carboxamide
CID 109317101
N-(3-chloro-2-methylphenyl)-2-(2-phenylethylamino)pyrimidine-4-carboxamide
CID 109307803
N-(4-acetylphenyl)-2-(4-ethylanilino)pyrimidine-4-carboxamide
CID 109315686

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-2-(4-ethylanilino)pyrimidine-4-carboxamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-2-(4-ethylanilino)pyrimidine-4-carboxamide (CID 109315663) is N-(3-chloro-2-methylphenyl)-2-(4-ethylanilino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-2-(4-ethylanilino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-2-(4-ethylanilino)pyrimidine-4-carboxamide is CCc1ccc(Nc2nccc(C(=O)Nc3cccc(Cl)c3C)n2)cc1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-2-(4-ethylanilino)pyrimidine-4-carboxamide?
The InChIKey is NDNUGIFKJZKJSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O/c1-3-14-7-9-15(10-8-14)23-20-22-12-11-18(25-20)19(26)24-17-6-4-5-16(21)13(17)2/h4-12H,3H2,1-2H3,(H,24,26)(H,22,23,25).
What are the key properties of N-(3-chloro-2-methylphenyl)-2-(4-ethylanilino)pyrimidine-4-carboxamide?
N-(3-chloro-2-methylphenyl)-2-(4-ethylanilino)pyrimidine-4-carboxamide has a molecular weight of 366.85 g/mol, XLogP of 5.00, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-2-(4-ethylanilino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109315663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).