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

C15H16F2N4O2 — CID 109300332

IUPAC2-(2,6-difluoroanilino)-N-(3-methoxypropyl)pyrimidine-4-carboxamide
SMILESCOCCCNC(=O)c1ccnc(Nc2c(F)cccc2F)n1
InChIInChI=1S/C15H16F2N4O2/c1-23-9-3-7-18-14(22)12-6-8-19-15(20-12)21-13-10(16)4-2-5-11(13)17/h2,4-6,8H,3,7,9H2,1H3,(H,18,22)(H,19,20,21)
InChIKeyAMOOSYPDVCWFLZ-UHFFFAOYSA-N
MW322.31 g/mol
LogP2.26
Rot. Bonds7

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

2-(2,6-difluoroanilino)-N-(3-methoxypropyl)pyrimidine-4-carboxamide (PubChem CID 109300332) has the molecular formula C15H16F2N4O2 and a molecular weight of 322.31 g/mol. Its IUPAC name is 2-(2,6-difluoroanilino)-N-(3-methoxypropyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(2,6-difluoroanilino)-N-(3-methoxypropyl)pyrimidine-4-carboxamide
PubChem CID109300332
Molecular FormulaC15H16F2N4O2
Molecular Weight322.31 g/mol
Exact Mass322.12
IUPAC Name2-(2,6-difluoroanilino)-N-(3-methoxypropyl)pyrimidine-4-carboxamide
SMILESCOCCCNC(=O)c1ccnc(Nc2c(F)cccc2F)n1
InChIInChI=1S/C15H16F2N4O2/c1-23-9-3-7-18-14(22)12-6-8-19-15(20-12)21-13-10(16)4-2-5-11(13)17/h2,4-6,8H,3,7,9H2,1H3,(H,18,22)(H,19,20,21)
InChIKeyAMOOSYPDVCWFLZ-UHFFFAOYSA-N
XLogP2.26
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.31
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(2,6-difluoroanilino)-N-(3-methoxypropyl)pyrimidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-butyl-2-(2,6-difluoroanilino)pyrimidine-4-carboxamide
CID 109296690
2-(3-fluoroanilino)-N-(3-methoxypropyl)pyrimidine-4-carboxamide
CID 109300300
2-(2-ethyl-6-methylanilino)-N-(3-methoxypropyl)pyrimidine-4-carboxamide
CID 109300244
N-(3-methoxypropyl)-2-(3-methoxypropylamino)pyrimidine-4-carboxamide
CID 109299972
2-[2-(2-fluorophenyl)ethylamino]-N-(3-methoxypropyl)pyrimidine-4-carboxamide
CID 109300183
2-(2,6-diethylanilino)-N-(2-methoxyethyl)pyrimidine-4-carboxamide
CID 109299885
2-(3-bromo-4-methylanilino)-N-(3-methoxypropyl)pyrimidine-4-carboxamide
CID 109300266
N-(3-methoxypropyl)-2-(2-methylpropylamino)pyrimidine-4-carboxamide
CID 109296702
2-[(4-methoxyphenyl)methylamino]-N-(3-methoxypropyl)pyrimidine-4-carboxamide
CID 109300175
2-(2,6-difluoroanilino)-N,N-dipropylpyrimidine-4-carboxamide
CID 109313081
2-(2,6-difluoroanilino)-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-4-carboxamide
CID 109309683
2-(2,6-difluoroanilino)-N-(2-methylphenyl)pyrimidine-4-carboxamide
CID 109313797

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluoroanilino)-N-(3-methoxypropyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-(2,6-difluoroanilino)-N-(3-methoxypropyl)pyrimidine-4-carboxamide (CID 109300332) is 2-(2,6-difluoroanilino)-N-(3-methoxypropyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(2,6-difluoroanilino)-N-(3-methoxypropyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-(2,6-difluoroanilino)-N-(3-methoxypropyl)pyrimidine-4-carboxamide is COCCCNC(=O)c1ccnc(Nc2c(F)cccc2F)n1.
What is the InChIKey of 2-(2,6-difluoroanilino)-N-(3-methoxypropyl)pyrimidine-4-carboxamide?
The InChIKey is AMOOSYPDVCWFLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N4O2/c1-23-9-3-7-18-14(22)12-6-8-19-15(20-12)21-13-10(16)4-2-5-11(13)17/h2,4-6,8H,3,7,9H2,1H3,(H,18,22)(H,19,20,21).
What are the key properties of 2-(2,6-difluoroanilino)-N-(3-methoxypropyl)pyrimidine-4-carboxamide?
2-(2,6-difluoroanilino)-N-(3-methoxypropyl)pyrimidine-4-carboxamide has a molecular weight of 322.31 g/mol, XLogP of 2.26, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluoroanilino)-N-(3-methoxypropyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109300332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).