2-(benzylamino)-N-(3,4-difluorophenyl)pyrimidine-4-carboxamide

C18H14F2N4O — CID 109303743

IUPAC2-(benzylamino)-N-(3,4-difluorophenyl)pyrimidine-4-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1)c1ccnc(NCc2ccccc2)n1
InChIInChI=1S/C18H14F2N4O/c19-14-7-6-13(10-15(14)20)23-17(25)16-8-9-21-18(24-16)22-11-12-4-2-1-3-5-12/h1-10H,11H2,(H,23,25)(H,21,22,24)
InChIKeyDIMUJIKQMYAMOK-UHFFFAOYSA-N
MW340.33 g/mol
LogP3.62
Rot. Bonds5

About 2-(benzylamino)-N-(3,4-difluorophenyl)pyrimidine-4-carboxamide

2-(benzylamino)-N-(3,4-difluorophenyl)pyrimidine-4-carboxamide (PubChem CID 109303743) has the molecular formula C18H14F2N4O and a molecular weight of 340.33 g/mol. Its IUPAC name is 2-(benzylamino)-N-(3,4-difluorophenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(benzylamino)-N-(3,4-difluorophenyl)pyrimidine-4-carboxamide
PubChem CID109303743
Molecular FormulaC18H14F2N4O
Molecular Weight340.33 g/mol
Exact Mass340.11
IUPAC Name2-(benzylamino)-N-(3,4-difluorophenyl)pyrimidine-4-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1)c1ccnc(NCc2ccccc2)n1
InChIInChI=1S/C18H14F2N4O/c19-14-7-6-13(10-15(14)20)23-17(25)16-8-9-21-18(24-16)22-11-12-4-2-1-3-5-12/h1-10H,11H2,(H,23,25)(H,21,22,24)
InChIKeyDIMUJIKQMYAMOK-UHFFFAOYSA-N
XLogP3.62
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.33
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(benzylamino)-N-(3,4-dichlorophenyl)pyrimidine-4-carboxamide
CID 109303727
2-(benzylamino)-N-phenylpyrimidine-4-carboxamide
CID 109303645
2-(benzylamino)-N-(3-chloro-4-methoxyphenyl)pyrimidine-4-carboxamide
CID 109303680
N-(3,4-difluorophenyl)-2-(3-methoxypropylamino)pyrimidine-4-carboxamide
CID 109300152
2-[benzyl(ethyl)amino]-N-(3,4-difluorophenyl)pyrimidine-4-carboxamide
CID 109306779
N-(4-chlorophenyl)-2-(2-phenylethylamino)pyrimidine-4-carboxamide
CID 109307802
6-(benzylamino)-N-(3,4-difluorophenyl)-2-methylpyrimidine-4-carboxamide
CID 109368359
N-(4-fluorophenyl)-2-(2-phenylethylamino)pyrimidine-4-carboxamide
CID 109307799
2-(4-tert-butylanilino)-N-(3,4-difluorophenyl)pyrimidine-4-carboxamide
CID 109316405
N-(3,4-difluorophenyl)-4-(pyridin-4-ylmethylamino)pyridine-2-carboxamide
CID 109213522
N-(4-fluorophenyl)-2-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide
CID 109307236
2-[(4-chlorophenyl)methylamino]-N-(3,4-dimethoxyphenyl)pyrimidine-4-carboxamide
CID 109306011

Frequently Asked Questions

What is the IUPAC name of 2-(benzylamino)-N-(3,4-difluorophenyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-(benzylamino)-N-(3,4-difluorophenyl)pyrimidine-4-carboxamide (CID 109303743) is 2-(benzylamino)-N-(3,4-difluorophenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(benzylamino)-N-(3,4-difluorophenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-(benzylamino)-N-(3,4-difluorophenyl)pyrimidine-4-carboxamide is O=C(Nc1ccc(F)c(F)c1)c1ccnc(NCc2ccccc2)n1.
What is the InChIKey of 2-(benzylamino)-N-(3,4-difluorophenyl)pyrimidine-4-carboxamide?
The InChIKey is DIMUJIKQMYAMOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F2N4O/c19-14-7-6-13(10-15(14)20)23-17(25)16-8-9-21-18(24-16)22-11-12-4-2-1-3-5-12/h1-10H,11H2,(H,23,25)(H,21,22,24).
What are the key properties of 2-(benzylamino)-N-(3,4-difluorophenyl)pyrimidine-4-carboxamide?
2-(benzylamino)-N-(3,4-difluorophenyl)pyrimidine-4-carboxamide has a molecular weight of 340.33 g/mol, XLogP of 3.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylamino)-N-(3,4-difluorophenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109303743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).