N-(4-fluorophenyl)-2-(2-phenylethylamino)pyrimidine-4-carboxamide

C19H17FN4O — CID 109307799

IUPACN-(4-fluorophenyl)-2-(2-phenylethylamino)pyrimidine-4-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1ccnc(NCCc2ccccc2)n1
InChIInChI=1S/C19H17FN4O/c20-15-6-8-16(9-7-15)23-18(25)17-11-13-22-19(24-17)21-12-10-14-4-2-1-3-5-14/h1-9,11,13H,10,12H2,(H,23,25)(H,21,22,24)
InChIKeySZEQOUHLEISXIV-UHFFFAOYSA-N
MW336.37 g/mol
LogP3.52
Rot. Bonds6

About N-(4-fluorophenyl)-2-(2-phenylethylamino)pyrimidine-4-carboxamide

N-(4-fluorophenyl)-2-(2-phenylethylamino)pyrimidine-4-carboxamide (PubChem CID 109307799) has the molecular formula C19H17FN4O and a molecular weight of 336.37 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-(2-phenylethylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-(2-phenylethylamino)pyrimidine-4-carboxamide
PubChem CID109307799
Molecular FormulaC19H17FN4O
Molecular Weight336.37 g/mol
Exact Mass336.14
IUPAC NameN-(4-fluorophenyl)-2-(2-phenylethylamino)pyrimidine-4-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1ccnc(NCCc2ccccc2)n1
InChIInChI=1S/C19H17FN4O/c20-15-6-8-16(9-7-15)23-18(25)17-11-13-22-19(24-17)21-12-10-14-4-2-1-3-5-14/h1-9,11,13H,10,12H2,(H,23,25)(H,21,22,24)
InChIKeySZEQOUHLEISXIV-UHFFFAOYSA-N
XLogP3.52
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-fluorophenyl)-2-[2-(4-fluorophenyl)ethylamino]pyrimidine-4-carboxamide
CID 109308419
N-(4-chlorophenyl)-2-(2-phenylethylamino)pyrimidine-4-carboxamide
CID 109307802
N-(3,4-dimethylphenyl)-2-[2-(4-fluorophenyl)ethylamino]pyrimidine-4-carboxamide
CID 109308404
2-[2-(3,4-dimethoxyphenyl)ethylamino]-N-(4-fluorophenyl)pyrimidine-4-carboxamide
CID 109309712
N-(4-fluorophenyl)-2-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide
CID 109307236
5-[2-(4-fluorophenyl)ethylamino]-N-phenylpyridine-2-carboxamide
CID 109192413
2-(benzylamino)-N-phenylpyrimidine-4-carboxamide
CID 109303645
N-[4-(dimethylamino)phenyl]-2-(3-phenylpropylamino)pyrimidine-4-carboxamide
CID 109311005
N-[2-(4-chlorophenyl)ethyl]-2-[2-(4-fluorophenyl)ethylamino]pyrimidine-4-carboxamide
CID 109308380
N-(2-bromophenyl)-2-(2-phenylethylamino)pyrimidine-4-carboxamide
CID 109307837
2-[2-(4-fluorophenyl)ethylamino]-N-prop-2-enylpyrimidine-4-carboxamide
CID 109296149
N-(4-methoxyphenyl)-2-[2-(3-methoxyphenyl)ethylamino]pyrimidine-4-carboxamide
CID 109308723

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-(2-phenylethylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-2-(2-phenylethylamino)pyrimidine-4-carboxamide (CID 109307799) is N-(4-fluorophenyl)-2-(2-phenylethylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-(2-phenylethylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-2-(2-phenylethylamino)pyrimidine-4-carboxamide is O=C(Nc1ccc(F)cc1)c1ccnc(NCCc2ccccc2)n1.
What is the InChIKey of N-(4-fluorophenyl)-2-(2-phenylethylamino)pyrimidine-4-carboxamide?
The InChIKey is SZEQOUHLEISXIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O/c20-15-6-8-16(9-7-15)23-18(25)17-11-13-22-19(24-17)21-12-10-14-4-2-1-3-5-14/h1-9,11,13H,10,12H2,(H,23,25)(H,21,22,24).
What are the key properties of N-(4-fluorophenyl)-2-(2-phenylethylamino)pyrimidine-4-carboxamide?
N-(4-fluorophenyl)-2-(2-phenylethylamino)pyrimidine-4-carboxamide has a molecular weight of 336.37 g/mol, XLogP of 3.52, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-(2-phenylethylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109307799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).