2-[2-(3-chlorophenyl)ethylamino]-N-(2,6-difluorophenyl)pyrimidine-4-carboxamide

C19H15ClF2N4O — CID 109313125

IUPAC2-[2-(3-chlorophenyl)ethylamino]-N-(2,6-difluorophenyl)pyrimidine-4-carboxamide
SMILESO=C(Nc1c(F)cccc1F)c1ccnc(NCCc2cccc(Cl)c2)n1
InChIInChI=1S/C19H15ClF2N4O/c20-13-4-1-3-12(11-13)7-9-23-19-24-10-8-16(25-19)18(27)26-17-14(21)5-2-6-15(17)22/h1-6,8,10-11H,7,9H2,(H,26,27)(H,23,24,25)
InChIKeyWLEONPWZQIKVLC-UHFFFAOYSA-N
MW388.81 g/mol
LogP4.32
Rot. Bonds6

About 2-[2-(3-chlorophenyl)ethylamino]-N-(2,6-difluorophenyl)pyrimidine-4-carboxamide

2-[2-(3-chlorophenyl)ethylamino]-N-(2,6-difluorophenyl)pyrimidine-4-carboxamide (PubChem CID 109313125) has the molecular formula C19H15ClF2N4O and a molecular weight of 388.81 g/mol. Its IUPAC name is 2-[2-(3-chlorophenyl)ethylamino]-N-(2,6-difluorophenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-[2-(3-chlorophenyl)ethylamino]-N-(2,6-difluorophenyl)pyrimidine-4-carboxamide
PubChem CID109313125
Molecular FormulaC19H15ClF2N4O
Molecular Weight388.81 g/mol
Exact Mass388.09
IUPAC Name2-[2-(3-chlorophenyl)ethylamino]-N-(2,6-difluorophenyl)pyrimidine-4-carboxamide
SMILESO=C(Nc1c(F)cccc1F)c1ccnc(NCCc2cccc(Cl)c2)n1
InChIInChI=1S/C19H15ClF2N4O/c20-13-4-1-3-12(11-13)7-9-23-19-24-10-8-16(25-19)18(27)26-17-14(21)5-2-6-15(17)22/h1-6,8,10-11H,7,9H2,(H,26,27)(H,23,24,25)
InChIKeyWLEONPWZQIKVLC-UHFFFAOYSA-N
XLogP4.32
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.81
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(3-chlorophenyl)ethylamino]-N-(4-ethylphenyl)pyrimidine-4-carboxamide
CID 109313099
2-[2-(3-chlorophenyl)ethylamino]-N-cyclopentylpyrimidine-4-carboxamide
CID 109298111
2-[2-(3-chlorophenyl)ethylamino]-N-(2-ethylphenyl)pyrimidine-4-carboxamide
CID 109313098
N-[2-(3-chlorophenyl)ethyl]-2-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109311741
N-(4-chlorophenyl)-2-(2-phenylethylamino)pyrimidine-4-carboxamide
CID 109307802
2-[2-(4-chlorophenyl)ethylamino]-N-[(2-fluorophenyl)methyl]pyrimidine-4-carboxamide
CID 109305390
N-[2-(4-chlorophenyl)ethyl]-2-[2-(4-fluorophenyl)ethylamino]pyrimidine-4-carboxamide
CID 109308380
2-(2,4-dichloroanilino)-N-(2,6-difluorophenyl)pyrimidine-4-carboxamide
CID 109318714
4-N-[2-(3-chlorophenyl)ethyl]-2-N-[2-(2-fluorophenyl)ethyl]pyrimidine-2,4-diamine
CID 112894599
2-anilino-N-[2-(3-chlorophenyl)ethyl]pyrimidine-4-carboxamide
CID 109313129
N-(4-fluorophenyl)-2-(2-phenylethylamino)pyrimidine-4-carboxamide
CID 109307799
2-(2,6-dichloroanilino)-N-(2,6-difluorophenyl)pyrimidine-4-carboxamide
CID 109318750

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-chlorophenyl)ethylamino]-N-(2,6-difluorophenyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-[2-(3-chlorophenyl)ethylamino]-N-(2,6-difluorophenyl)pyrimidine-4-carboxamide (CID 109313125) is 2-[2-(3-chlorophenyl)ethylamino]-N-(2,6-difluorophenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-[2-(3-chlorophenyl)ethylamino]-N-(2,6-difluorophenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-[2-(3-chlorophenyl)ethylamino]-N-(2,6-difluorophenyl)pyrimidine-4-carboxamide is O=C(Nc1c(F)cccc1F)c1ccnc(NCCc2cccc(Cl)c2)n1.
What is the InChIKey of 2-[2-(3-chlorophenyl)ethylamino]-N-(2,6-difluorophenyl)pyrimidine-4-carboxamide?
The InChIKey is WLEONPWZQIKVLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClF2N4O/c20-13-4-1-3-12(11-13)7-9-23-19-24-10-8-16(25-19)18(27)26-17-14(21)5-2-6-15(17)22/h1-6,8,10-11H,7,9H2,(H,26,27)(H,23,24,25).
What are the key properties of 2-[2-(3-chlorophenyl)ethylamino]-N-(2,6-difluorophenyl)pyrimidine-4-carboxamide?
2-[2-(3-chlorophenyl)ethylamino]-N-(2,6-difluorophenyl)pyrimidine-4-carboxamide has a molecular weight of 388.81 g/mol, XLogP of 4.32, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-chlorophenyl)ethylamino]-N-(2,6-difluorophenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109313125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).