6-(3-chloro-4-methylanilino)-N-(3-methoxypropyl)-2-methylpyrimidine-4-carboxamide

C17H21ClN4O2 — CID 109365263

IUPAC6-(3-chloro-4-methylanilino)-N-(3-methoxypropyl)-2-methylpyrimidine-4-carboxamide
SMILESCOCCCNC(=O)c1cc(Nc2ccc(C)c(Cl)c2)nc(C)n1
InChIInChI=1S/C17H21ClN4O2/c1-11-5-6-13(9-14(11)18)22-16-10-15(20-12(2)21-16)17(23)19-7-4-8-24-3/h5-6,9-10H,4,7-8H2,1-3H3,(H,19,23)(H,20,21,22)
InChIKeyIWIBHHYHCIUXKO-UHFFFAOYSA-N
MW348.83 g/mol
LogP3.26
Rot. Bonds7

About 6-(3-chloro-4-methylanilino)-N-(3-methoxypropyl)-2-methylpyrimidine-4-carboxamide

6-(3-chloro-4-methylanilino)-N-(3-methoxypropyl)-2-methylpyrimidine-4-carboxamide (PubChem CID 109365263) has the molecular formula C17H21ClN4O2 and a molecular weight of 348.83 g/mol. Its IUPAC name is 6-(3-chloro-4-methylanilino)-N-(3-methoxypropyl)-2-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(3-chloro-4-methylanilino)-N-(3-methoxypropyl)-2-methylpyrimidine-4-carboxamide
PubChem CID109365263
Molecular FormulaC17H21ClN4O2
Molecular Weight348.83 g/mol
Exact Mass348.14
IUPAC Name6-(3-chloro-4-methylanilino)-N-(3-methoxypropyl)-2-methylpyrimidine-4-carboxamide
SMILESCOCCCNC(=O)c1cc(Nc2ccc(C)c(Cl)c2)nc(C)n1
InChIInChI=1S/C17H21ClN4O2/c1-11-5-6-13(9-14(11)18)22-16-10-15(20-12(2)21-16)17(23)19-7-4-8-24-3/h5-6,9-10H,4,7-8H2,1-3H3,(H,19,23)(H,20,21,22)
InChIKeyIWIBHHYHCIUXKO-UHFFFAOYSA-N
XLogP3.26
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.83
LogP ≤ 53.26
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-(2-chloroanilino)-N-(3-methoxypropyl)-2-methylpyrimidine-4-carboxamide
CID 109365257
6-(3-chloro-4-methoxyanilino)-2-methyl-N-pentylpyrimidine-4-carboxamide
CID 112846848
methyl 3-[[6-(3-methoxypropylcarbamoyl)-2-methylpyrimidin-4-yl]amino]benzoate
CID 109365289
N-(3-methoxypropyl)-2-methyl-6-[3-(trifluoromethyl)anilino]pyrimidine-4-carboxamide
CID 109365282
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
6-(3-chloro-4-fluoroanilino)-2-methyl-N-(3-phenylpropyl)pyrimidine-4-carboxamide
CID 109373594
6-(3-chloro-4-methylanilino)-2-methyl-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109365928
N-(2-methoxyethyl)-6-(3-methoxypropylamino)-2-methylpyrimidine-4-carboxamide
CID 109364804
N-butyl-6-[4-chloro-3-(trifluoromethyl)anilino]-2-methylpyrimidine-4-carboxamide
CID 109361908
6-(3-chloro-4-fluoroanilino)-N-[2-(dimethylamino)ethyl]-2-methylpyrimidine-4-carboxamide
CID 109366264
N-(2-methoxyethyl)-2-methyl-6-(4-piperidin-1-ylanilino)pyrimidine-4-carboxamide
CID 109364946

Frequently Asked Questions

What is the IUPAC name of 6-(3-chloro-4-methylanilino)-N-(3-methoxypropyl)-2-methylpyrimidine-4-carboxamide?
The IUPAC name of 6-(3-chloro-4-methylanilino)-N-(3-methoxypropyl)-2-methylpyrimidine-4-carboxamide (CID 109365263) is 6-(3-chloro-4-methylanilino)-N-(3-methoxypropyl)-2-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-(3-chloro-4-methylanilino)-N-(3-methoxypropyl)-2-methylpyrimidine-4-carboxamide?
The canonical SMILES for 6-(3-chloro-4-methylanilino)-N-(3-methoxypropyl)-2-methylpyrimidine-4-carboxamide is COCCCNC(=O)c1cc(Nc2ccc(C)c(Cl)c2)nc(C)n1.
What is the InChIKey of 6-(3-chloro-4-methylanilino)-N-(3-methoxypropyl)-2-methylpyrimidine-4-carboxamide?
The InChIKey is IWIBHHYHCIUXKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4O2/c1-11-5-6-13(9-14(11)18)22-16-10-15(20-12(2)21-16)17(23)19-7-4-8-24-3/h5-6,9-10H,4,7-8H2,1-3H3,(H,19,23)(H,20,21,22).
What are the key properties of 6-(3-chloro-4-methylanilino)-N-(3-methoxypropyl)-2-methylpyrimidine-4-carboxamide?
6-(3-chloro-4-methylanilino)-N-(3-methoxypropyl)-2-methylpyrimidine-4-carboxamide has a molecular weight of 348.83 g/mol, XLogP of 3.26, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chloro-4-methylanilino)-N-(3-methoxypropyl)-2-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109365263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).