6-(2-chloroanilino)-N-(3-methoxypropyl)-2-methylpyrimidine-4-carboxamide

C16H19ClN4O2 — CID 109365257

IUPAC6-(2-chloroanilino)-N-(3-methoxypropyl)-2-methylpyrimidine-4-carboxamide
SMILESCOCCCNC(=O)c1cc(Nc2ccccc2Cl)nc(C)n1
InChIInChI=1S/C16H19ClN4O2/c1-11-19-14(16(22)18-8-5-9-23-2)10-15(20-11)21-13-7-4-3-6-12(13)17/h3-4,6-7,10H,5,8-9H2,1-2H3,(H,18,22)(H,19,20,21)
InChIKeyBBWYTHYPYZNUBX-UHFFFAOYSA-N
MW334.81 g/mol
LogP2.95
Rot. Bonds7

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

6-(2-chloroanilino)-N-(3-methoxypropyl)-2-methylpyrimidine-4-carboxamide (PubChem CID 109365257) has the molecular formula C16H19ClN4O2 and a molecular weight of 334.81 g/mol. Its IUPAC name is 6-(2-chloroanilino)-N-(3-methoxypropyl)-2-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(2-chloroanilino)-N-(3-methoxypropyl)-2-methylpyrimidine-4-carboxamide
PubChem CID109365257
Molecular FormulaC16H19ClN4O2
Molecular Weight334.81 g/mol
Exact Mass334.12
IUPAC Name6-(2-chloroanilino)-N-(3-methoxypropyl)-2-methylpyrimidine-4-carboxamide
SMILESCOCCCNC(=O)c1cc(Nc2ccccc2Cl)nc(C)n1
InChIInChI=1S/C16H19ClN4O2/c1-11-19-14(16(22)18-8-5-9-23-2)10-15(20-11)21-13-7-4-3-6-12(13)17/h3-4,6-7,10H,5,8-9H2,1-2H3,(H,18,22)(H,19,20,21)
InChIKeyBBWYTHYPYZNUBX-UHFFFAOYSA-N
XLogP2.95
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.81
LogP ≤ 52.95
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

N-(3-methoxypropyl)-2-methyl-6-(2-phenoxyanilino)pyrimidine-4-carboxamide
CID 109365314
6-(3-chloro-4-methylanilino)-N-(3-methoxypropyl)-2-methylpyrimidine-4-carboxamide
CID 109365263
6-(2-chloroanilino)-N-[(2-fluorophenyl)methyl]-2-methylpyrimidine-4-carboxamide
CID 109369705
6-(3-chloro-2-methylanilino)-N-[3-(dimethylamino)propyl]-2-methylpyrimidine-4-carboxamide
CID 109366792
N-(3-methoxypropyl)-2-methyl-6-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109365172
6-(2-chloroanilino)-N-cyclopropyl-2-methylpyrimidine-4-carboxamide
CID 109361076
methyl 3-[[6-(3-methoxypropylcarbamoyl)-2-methylpyrimidin-4-yl]amino]benzoate
CID 109365289
N-(2-chlorophenyl)-2-methyl-6-(2-methylanilino)pyrimidine-4-carboxamide
CID 112848065
N-(2-methoxyethyl)-6-(3-methoxypropylamino)-2-methylpyrimidine-4-carboxamide
CID 109364804
N-(3-methoxypropyl)-2-methyl-6-[3-(trifluoromethyl)anilino]pyrimidine-4-carboxamide
CID 109365282
6-[2-(3-chlorophenyl)ethylamino]-N-(3-methoxypropyl)-2-methylpyrimidine-4-carboxamide
CID 109365227
N-(1,3-benzodioxol-5-ylmethyl)-6-(2-chloroanilino)-2-methylpyrimidine-4-carboxamide
CID 109370568

Frequently Asked Questions

What is the IUPAC name of 6-(2-chloroanilino)-N-(3-methoxypropyl)-2-methylpyrimidine-4-carboxamide?
The IUPAC name of 6-(2-chloroanilino)-N-(3-methoxypropyl)-2-methylpyrimidine-4-carboxamide (CID 109365257) is 6-(2-chloroanilino)-N-(3-methoxypropyl)-2-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-(2-chloroanilino)-N-(3-methoxypropyl)-2-methylpyrimidine-4-carboxamide?
The canonical SMILES for 6-(2-chloroanilino)-N-(3-methoxypropyl)-2-methylpyrimidine-4-carboxamide is COCCCNC(=O)c1cc(Nc2ccccc2Cl)nc(C)n1.
What is the InChIKey of 6-(2-chloroanilino)-N-(3-methoxypropyl)-2-methylpyrimidine-4-carboxamide?
The InChIKey is BBWYTHYPYZNUBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4O2/c1-11-19-14(16(22)18-8-5-9-23-2)10-15(20-11)21-13-7-4-3-6-12(13)17/h3-4,6-7,10H,5,8-9H2,1-2H3,(H,18,22)(H,19,20,21).
What are the key properties of 6-(2-chloroanilino)-N-(3-methoxypropyl)-2-methylpyrimidine-4-carboxamide?
6-(2-chloroanilino)-N-(3-methoxypropyl)-2-methylpyrimidine-4-carboxamide has a molecular weight of 334.81 g/mol, XLogP of 2.95, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chloroanilino)-N-(3-methoxypropyl)-2-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109365257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).