6-(3-chloro-4-methoxyanilino)-2-methyl-N-pentylpyrimidine-4-carboxamide

C18H23ClN4O2 — CID 112846848

IUPAC6-(3-chloro-4-methoxyanilino)-2-methyl-N-pentylpyrimidine-4-carboxamide
SMILESCCCCCNC(=O)c1cc(Nc2ccc(OC)c(Cl)c2)nc(C)n1
InChIInChI=1S/C18H23ClN4O2/c1-4-5-6-9-20-18(24)15-11-17(22-12(2)21-15)23-13-7-8-16(25-3)14(19)10-13/h7-8,10-11H,4-6,9H2,1-3H3,(H,20,24)(H,21,22,23)
InChIKeyGTJNBFBQCOQHNY-UHFFFAOYSA-N
MW362.86 g/mol
LogP4.11
Rot. Bonds8

About 6-(3-chloro-4-methoxyanilino)-2-methyl-N-pentylpyrimidine-4-carboxamide

6-(3-chloro-4-methoxyanilino)-2-methyl-N-pentylpyrimidine-4-carboxamide (PubChem CID 112846848) has the molecular formula C18H23ClN4O2 and a molecular weight of 362.86 g/mol. Its IUPAC name is 6-(3-chloro-4-methoxyanilino)-2-methyl-N-pentylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(3-chloro-4-methoxyanilino)-2-methyl-N-pentylpyrimidine-4-carboxamide
PubChem CID112846848
Molecular FormulaC18H23ClN4O2
Molecular Weight362.86 g/mol
Exact Mass362.15
IUPAC Name6-(3-chloro-4-methoxyanilino)-2-methyl-N-pentylpyrimidine-4-carboxamide
SMILESCCCCCNC(=O)c1cc(Nc2ccc(OC)c(Cl)c2)nc(C)n1
InChIInChI=1S/C18H23ClN4O2/c1-4-5-6-9-20-18(24)15-11-17(22-12(2)21-15)23-13-7-8-16(25-3)14(19)10-13/h7-8,10-11H,4-6,9H2,1-3H3,(H,20,24)(H,21,22,23)
InChIKeyGTJNBFBQCOQHNY-UHFFFAOYSA-N
XLogP4.11
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.86
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-(3-chloro-4-methoxyanilino)-2-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 112846634
N-butyl-6-(4-methoxyanilino)-2-methylpyrimidine-4-carboxamide
CID 109361864
N-butyl-6-(3-chloro-4-methoxyanilino)pyrimidine-4-carboxamide
CID 109340122
6-(3-chloro-4-methylanilino)-N-(3-methoxypropyl)-2-methylpyrimidine-4-carboxamide
CID 109365263
6-(4-bromoanilino)-2-methyl-N-pentylpyrimidine-4-carboxamide
CID 112846850
6-(4-fluoroanilino)-2-methyl-N-pentylpyrimidine-4-carboxamide
CID 112846839
N-butyl-6-[4-chloro-3-(trifluoromethyl)anilino]-2-methylpyrimidine-4-carboxamide
CID 109361908
6-(3-acetamidoanilino)-2-methyl-N-pentylpyrimidine-4-carboxamide
CID 112846868
6-(3-chloro-4-methoxyanilino)-N-ethyl-2-methyl-N-phenylpyrimidine-4-carboxamide
CID 112849522
6-chloro-N-(3-chloro-4-methoxyphenyl)-2-methylpyrimidin-4-amine
CID 62480912
2-(3-chloro-4-methoxyanilino)-N-pentylpyrimidine-5-carboxamide
CID 109263674
N-(3-chloro-4-methoxyphenyl)-6-(3-fluoroanilino)-2-methylpyrimidine-4-carboxamide
CID 112850391

Frequently Asked Questions

What is the IUPAC name of 6-(3-chloro-4-methoxyanilino)-2-methyl-N-pentylpyrimidine-4-carboxamide?
The IUPAC name of 6-(3-chloro-4-methoxyanilino)-2-methyl-N-pentylpyrimidine-4-carboxamide (CID 112846848) is 6-(3-chloro-4-methoxyanilino)-2-methyl-N-pentylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-(3-chloro-4-methoxyanilino)-2-methyl-N-pentylpyrimidine-4-carboxamide?
The canonical SMILES for 6-(3-chloro-4-methoxyanilino)-2-methyl-N-pentylpyrimidine-4-carboxamide is CCCCCNC(=O)c1cc(Nc2ccc(OC)c(Cl)c2)nc(C)n1.
What is the InChIKey of 6-(3-chloro-4-methoxyanilino)-2-methyl-N-pentylpyrimidine-4-carboxamide?
The InChIKey is GTJNBFBQCOQHNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN4O2/c1-4-5-6-9-20-18(24)15-11-17(22-12(2)21-15)23-13-7-8-16(25-3)14(19)10-13/h7-8,10-11H,4-6,9H2,1-3H3,(H,20,24)(H,21,22,23).
What are the key properties of 6-(3-chloro-4-methoxyanilino)-2-methyl-N-pentylpyrimidine-4-carboxamide?
6-(3-chloro-4-methoxyanilino)-2-methyl-N-pentylpyrimidine-4-carboxamide has a molecular weight of 362.86 g/mol, XLogP of 4.11, 8 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)-2-methyl-N-pentylpyrimidine-4-carboxamide is sourced from PubChem (CID 112846848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).