2-(2-fluoroanilino)-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-4-carboxamide

C20H19FN4O2 — CID 109308648

IUPAC2-(2-fluoroanilino)-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-4-carboxamide
SMILESCOc1ccccc1CCNC(=O)c1ccnc(Nc2ccccc2F)n1
InChIInChI=1S/C20H19FN4O2/c1-27-18-9-5-2-6-14(18)10-12-22-19(26)17-11-13-23-20(25-17)24-16-8-4-3-7-15(16)21/h2-9,11,13H,10,12H2,1H3,(H,22,26)(H,23,24,25)
InChIKeyPFPARAANOOSCSU-UHFFFAOYSA-N
MW366.40 g/mol
LogP3.34
Rot. Bonds7

About 2-(2-fluoroanilino)-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-4-carboxamide

2-(2-fluoroanilino)-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-4-carboxamide (PubChem CID 109308648) has the molecular formula C20H19FN4O2 and a molecular weight of 366.40 g/mol. Its IUPAC name is 2-(2-fluoroanilino)-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(2-fluoroanilino)-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-4-carboxamide
PubChem CID109308648
Molecular FormulaC20H19FN4O2
Molecular Weight366.40 g/mol
Exact Mass366.15
IUPAC Name2-(2-fluoroanilino)-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-4-carboxamide
SMILESCOc1ccccc1CCNC(=O)c1ccnc(Nc2ccccc2F)n1
InChIInChI=1S/C20H19FN4O2/c1-27-18-9-5-2-6-14(18)10-12-22-19(26)17-11-13-23-20(25-17)24-16-8-4-3-7-15(16)21/h2-9,11,13H,10,12H2,1H3,(H,22,26)(H,23,24,25)
InChIKeyPFPARAANOOSCSU-UHFFFAOYSA-N
XLogP3.34
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(2-fluoroanilino)-N-[2-(2-methoxyphenyl)ethyl]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

2-[(4-fluorophenyl)methylamino]-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-4-carboxamide
CID 109305508
N-[2-(4-fluorophenyl)ethyl]-2-[2-(2-methoxyphenyl)ethylamino]pyrimidine-4-carboxamide
CID 109308462
2-(3-chloro-4-methylanilino)-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-4-carboxamide
CID 109308656
N-[2-(2-methoxyphenyl)ethyl]-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109306886
2-(2-tert-butylanilino)-N-[2-(2-fluorophenyl)ethyl]pyrimidine-4-carboxamide
CID 109308327
N-[2-(2-methoxyphenyl)ethyl]-2-(3-phenylpropylamino)pyrimidine-4-carboxamide
CID 109308618
2-(2-methoxyanilino)-N-(3-phenylpropyl)pyrimidine-4-carboxamide
CID 109311065
N-[2-(dimethylamino)ethyl]-2-(2-methoxyanilino)pyrimidine-4-carboxamide
CID 109301340
2-[2-(2-methoxyphenyl)ethylamino]-N-(2-methylpropyl)pyrimidine-4-carboxamide
CID 109296927
N-(2-ethylphenyl)-2-[2-(2-methoxyphenyl)ethylamino]pyrimidine-4-carboxamide
CID 109308577
N-[(2-methoxyphenyl)methyl]-2-(2-propan-2-ylanilino)pyrimidine-4-carboxamide
CID 109306281
N-[(2-chlorophenyl)methyl]-2-(2-fluoroanilino)pyrimidine-4-carboxamide
CID 109305895

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoroanilino)-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-4-carboxamide?
The IUPAC name of 2-(2-fluoroanilino)-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-4-carboxamide (CID 109308648) is 2-(2-fluoroanilino)-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(2-fluoroanilino)-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-4-carboxamide?
The canonical SMILES for 2-(2-fluoroanilino)-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-4-carboxamide is COc1ccccc1CCNC(=O)c1ccnc(Nc2ccccc2F)n1.
What is the InChIKey of 2-(2-fluoroanilino)-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-4-carboxamide?
The InChIKey is PFPARAANOOSCSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O2/c1-27-18-9-5-2-6-14(18)10-12-22-19(26)17-11-13-23-20(25-17)24-16-8-4-3-7-15(16)21/h2-9,11,13H,10,12H2,1H3,(H,22,26)(H,23,24,25).
What are the key properties of 2-(2-fluoroanilino)-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-4-carboxamide?
2-(2-fluoroanilino)-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-4-carboxamide has a molecular weight of 366.40 g/mol, XLogP of 3.34, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoroanilino)-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 109308648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).