2-(2,4-difluoroanilino)-N-(3-methoxypropyl)-6-methylpyrimidine-4-carboxamide

C16H18F2N4O2 — CID 109324175

IUPAC2-(2,4-difluoroanilino)-N-(3-methoxypropyl)-6-methylpyrimidine-4-carboxamide
SMILESCOCCCNC(=O)c1cc(C)nc(Nc2ccc(F)cc2F)n1
InChIInChI=1S/C16H18F2N4O2/c1-10-8-14(15(23)19-6-3-7-24-2)22-16(20-10)21-13-5-4-11(17)9-12(13)18/h4-5,8-9H,3,6-7H2,1-2H3,(H,19,23)(H,20,21,22)
InChIKeyHLVLQPLEPSWLNZ-UHFFFAOYSA-N
MW336.34 g/mol
LogP2.57
Rot. Bonds7

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

2-(2,4-difluoroanilino)-N-(3-methoxypropyl)-6-methylpyrimidine-4-carboxamide (PubChem CID 109324175) has the molecular formula C16H18F2N4O2 and a molecular weight of 336.34 g/mol. Its IUPAC name is 2-(2,4-difluoroanilino)-N-(3-methoxypropyl)-6-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(2,4-difluoroanilino)-N-(3-methoxypropyl)-6-methylpyrimidine-4-carboxamide
PubChem CID109324175
Molecular FormulaC16H18F2N4O2
Molecular Weight336.34 g/mol
Exact Mass336.14
IUPAC Name2-(2,4-difluoroanilino)-N-(3-methoxypropyl)-6-methylpyrimidine-4-carboxamide
SMILESCOCCCNC(=O)c1cc(C)nc(Nc2ccc(F)cc2F)n1
InChIInChI=1S/C16H18F2N4O2/c1-10-8-14(15(23)19-6-3-7-24-2)22-16(20-10)21-13-5-4-11(17)9-12(13)18/h4-5,8-9H,3,6-7H2,1-2H3,(H,19,23)(H,20,21,22)
InChIKeyHLVLQPLEPSWLNZ-UHFFFAOYSA-N
XLogP2.57
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.34
LogP ≤ 52.57
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

2-(2,4-difluoroanilino)-N-[2-(dimethylamino)ethyl]-6-methylpyrimidine-4-carboxamide
CID 109325164
2-(2-bromoanilino)-N-(3-methoxypropyl)-6-methylpyrimidine-4-carboxamide
CID 109324165
methyl 2-[[4-(3-methoxypropylcarbamoyl)-6-methylpyrimidin-2-yl]amino]benzoate
CID 109324151
2-(2,6-dimethylanilino)-N-(3-methoxypropyl)-6-methylpyrimidine-4-carboxamide
CID 109324105
6-(2,4-difluoroanilino)-N-(3-methoxypropyl)-2-phenylpyrimidine-4-carboxamide
CID 112853397
N-(3-methoxypropyl)-6-methyl-2-[4-(trifluoromethyl)anilino]pyrimidine-4-carboxamide
CID 109324146
N-(3-methoxypropyl)-6-methyl-2-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide
CID 109324113
N-(3-methoxypropyl)-6-methyl-2-(4-propan-2-ylanilino)pyrimidine-4-carboxamide
CID 109324112
2-(2,4-difluoroanilino)-N-(2,5-dimethylphenyl)-6-methylpyrimidine-4-carboxamide
CID 109335795
2-(2-fluoroanilino)-6-methyl-N-(3-phenylpropyl)pyrimidine-4-carboxamide
CID 109332533
2-N-(2,4-difluorophenyl)-4-N-(2-methoxyethyl)-6-methylpyrimidine-2,4-diamine
CID 112911480
2-(2,4-difluoroanilino)-6-methyl-N-(2,4,6-trimethylphenyl)pyrimidine-4-carboxamide
CID 109336625

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluoroanilino)-N-(3-methoxypropyl)-6-methylpyrimidine-4-carboxamide?
The IUPAC name of 2-(2,4-difluoroanilino)-N-(3-methoxypropyl)-6-methylpyrimidine-4-carboxamide (CID 109324175) is 2-(2,4-difluoroanilino)-N-(3-methoxypropyl)-6-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-(2,4-difluoroanilino)-N-(3-methoxypropyl)-6-methylpyrimidine-4-carboxamide?
The canonical SMILES for 2-(2,4-difluoroanilino)-N-(3-methoxypropyl)-6-methylpyrimidine-4-carboxamide is COCCCNC(=O)c1cc(C)nc(Nc2ccc(F)cc2F)n1.
What is the InChIKey of 2-(2,4-difluoroanilino)-N-(3-methoxypropyl)-6-methylpyrimidine-4-carboxamide?
The InChIKey is HLVLQPLEPSWLNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F2N4O2/c1-10-8-14(15(23)19-6-3-7-24-2)22-16(20-10)21-13-5-4-11(17)9-12(13)18/h4-5,8-9H,3,6-7H2,1-2H3,(H,19,23)(H,20,21,22).
What are the key properties of 2-(2,4-difluoroanilino)-N-(3-methoxypropyl)-6-methylpyrimidine-4-carboxamide?
2-(2,4-difluoroanilino)-N-(3-methoxypropyl)-6-methylpyrimidine-4-carboxamide has a molecular weight of 336.34 g/mol, XLogP of 2.57, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluoroanilino)-N-(3-methoxypropyl)-6-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109324175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).