2-(benzylamino)-N-[(2-fluorophenyl)methyl]pyrimidine-5-carboxamide

C19H17FN4O — CID 109255377

IUPAC2-(benzylamino)-N-[(2-fluorophenyl)methyl]pyrimidine-5-carboxamide
SMILESO=C(NCc1ccccc1F)c1cnc(NCc2ccccc2)nc1
InChIInChI=1S/C19H17FN4O/c20-17-9-5-4-8-15(17)11-21-18(25)16-12-23-19(24-13-16)22-10-14-6-2-1-3-7-14/h1-9,12-13H,10-11H2,(H,21,25)(H,22,23,24)
InChIKeyXMUONURASPZNHE-UHFFFAOYSA-N
MW336.37 g/mol
LogP3.16
Rot. Bonds6

About 2-(benzylamino)-N-[(2-fluorophenyl)methyl]pyrimidine-5-carboxamide

2-(benzylamino)-N-[(2-fluorophenyl)methyl]pyrimidine-5-carboxamide (PubChem CID 109255377) has the molecular formula C19H17FN4O and a molecular weight of 336.37 g/mol. Its IUPAC name is 2-(benzylamino)-N-[(2-fluorophenyl)methyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(benzylamino)-N-[(2-fluorophenyl)methyl]pyrimidine-5-carboxamide
PubChem CID109255377
Molecular FormulaC19H17FN4O
Molecular Weight336.37 g/mol
Exact Mass336.14
IUPAC Name2-(benzylamino)-N-[(2-fluorophenyl)methyl]pyrimidine-5-carboxamide
SMILESO=C(NCc1ccccc1F)c1cnc(NCc2ccccc2)nc1
InChIInChI=1S/C19H17FN4O/c20-17-9-5-4-8-15(17)11-21-18(25)16-12-23-19(24-13-16)22-10-14-6-2-1-3-7-14/h1-9,12-13H,10-11H2,(H,21,25)(H,22,23,24)
InChIKeyXMUONURASPZNHE-UHFFFAOYSA-N
XLogP3.16
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 ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-fluorophenyl)methyl]-2-[(3-methylphenyl)methylamino]pyrimidine-5-carboxamide
CID 109255942
2-anilino-N-[(2-fluorophenyl)methyl]pyrimidine-5-carboxamide
CID 109256919
N-benzyl-2-[(4-fluorophenyl)methylamino]pyrimidine-5-carboxamide
CID 109255220
N-[(2-fluorophenyl)methyl]-2-(prop-2-enylamino)pyrimidine-5-carboxamide
CID 109247875
2-(butylamino)-N-[(2-fluorophenyl)methyl]pyrimidine-5-carboxamide
CID 109248264
N-[(2-fluorophenyl)methyl]-2-(3-methylbutylamino)pyrimidine-5-carboxamide
CID 109256911
2-[(2-fluorophenyl)methylamino]-N-propylpyrimidine-5-carboxamide
CID 109246495
2-(benzylamino)-N-[(4-chlorophenyl)methyl]pyrimidine-5-carboxamide
CID 109255380
2-[(2-fluorophenyl)methylamino]-N-phenylpyrimidine-5-carboxamide
CID 109257045
N-[(2-fluorophenyl)methyl]-6-[(4-fluorophenyl)methylamino]pyridine-3-carboxamide
CID 109156514
N-[2-(4-chlorophenyl)ethyl]-2-[(2-fluorophenyl)methylamino]pyrimidine-5-carboxamide
CID 109257024
2-[2-(2-fluorophenyl)ethylamino]-N-(pyridin-3-ylmethyl)pyrimidine-5-carboxamide
CID 109258815

Frequently Asked Questions

What is the IUPAC name of 2-(benzylamino)-N-[(2-fluorophenyl)methyl]pyrimidine-5-carboxamide?
The IUPAC name of 2-(benzylamino)-N-[(2-fluorophenyl)methyl]pyrimidine-5-carboxamide (CID 109255377) is 2-(benzylamino)-N-[(2-fluorophenyl)methyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(benzylamino)-N-[(2-fluorophenyl)methyl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-(benzylamino)-N-[(2-fluorophenyl)methyl]pyrimidine-5-carboxamide is O=C(NCc1ccccc1F)c1cnc(NCc2ccccc2)nc1.
What is the InChIKey of 2-(benzylamino)-N-[(2-fluorophenyl)methyl]pyrimidine-5-carboxamide?
The InChIKey is XMUONURASPZNHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O/c20-17-9-5-4-8-15(17)11-21-18(25)16-12-23-19(24-13-16)22-10-14-6-2-1-3-7-14/h1-9,12-13H,10-11H2,(H,21,25)(H,22,23,24).
What are the key properties of 2-(benzylamino)-N-[(2-fluorophenyl)methyl]pyrimidine-5-carboxamide?
2-(benzylamino)-N-[(2-fluorophenyl)methyl]pyrimidine-5-carboxamide has a molecular weight of 336.37 g/mol, XLogP of 3.16, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylamino)-N-[(2-fluorophenyl)methyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 109255377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).