2-[(2-fluorophenyl)methylamino]-N-propylpyrimidine-5-carboxamide

C15H17FN4O — CID 109246495

IUPAC2-[(2-fluorophenyl)methylamino]-N-propylpyrimidine-5-carboxamide
SMILESCCCNC(=O)c1cnc(NCc2ccccc2F)nc1
InChIInChI=1S/C15H17FN4O/c1-2-7-17-14(21)12-9-19-15(20-10-12)18-8-11-5-3-4-6-13(11)16/h3-6,9-10H,2,7-8H2,1H3,(H,17,21)(H,18,19,20)
InChIKeyVOYMZXIJIDUQED-UHFFFAOYSA-N
MW288.33 g/mol
LogP2.37
Rot. Bonds6

About 2-[(2-fluorophenyl)methylamino]-N-propylpyrimidine-5-carboxamide

2-[(2-fluorophenyl)methylamino]-N-propylpyrimidine-5-carboxamide (PubChem CID 109246495) has the molecular formula C15H17FN4O and a molecular weight of 288.33 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)methylamino]-N-propylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[(2-fluorophenyl)methylamino]-N-propylpyrimidine-5-carboxamide
PubChem CID109246495
Molecular FormulaC15H17FN4O
Molecular Weight288.33 g/mol
Exact Mass288.14
IUPAC Name2-[(2-fluorophenyl)methylamino]-N-propylpyrimidine-5-carboxamide
SMILESCCCNC(=O)c1cnc(NCc2ccccc2F)nc1
InChIInChI=1S/C15H17FN4O/c1-2-7-17-14(21)12-9-19-15(20-10-12)18-8-11-5-3-4-6-13(11)16/h3-6,9-10H,2,7-8H2,1H3,(H,17,21)(H,18,19,20)
InChIKeyVOYMZXIJIDUQED-UHFFFAOYSA-N
XLogP2.37
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(2-fluorophenyl)ethylamino]-N-propylpyrimidine-5-carboxamide
CID 109246508
2-(butylamino)-N-[(2-fluorophenyl)methyl]pyrimidine-5-carboxamide
CID 109248264
2-[(2-fluorophenyl)methylamino]-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-5-carboxamide
CID 109257016
N-[2-(4-chlorophenyl)ethyl]-2-[(2-fluorophenyl)methylamino]pyrimidine-5-carboxamide
CID 109257024
N-[(2-fluorophenyl)methyl]-2-(3-methylbutylamino)pyrimidine-5-carboxamide
CID 109256911
2-(benzylamino)-N-[(2-fluorophenyl)methyl]pyrimidine-5-carboxamide
CID 109255377
N-(2-tert-butylphenyl)-2-[(2-fluorophenyl)methylamino]pyrimidine-5-carboxamide
CID 109257067
N-[(2-fluorophenyl)methyl]-6-(propylamino)pyridine-3-carboxamide
CID 62166042
2-[(2-fluorophenyl)methylamino]-N-phenylpyrimidine-5-carboxamide
CID 109257045
N-[(2-fluorophenyl)methyl]-2-(prop-2-enylamino)pyrimidine-5-carboxamide
CID 109247875
2-[(2-fluorophenyl)methylamino]-N-[2-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide
CID 109257093
2-[(2-chlorophenyl)methylamino]-N-pentylpyrimidine-5-carboxamide
CID 109257503

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)methylamino]-N-propylpyrimidine-5-carboxamide?
The IUPAC name of 2-[(2-fluorophenyl)methylamino]-N-propylpyrimidine-5-carboxamide (CID 109246495) is 2-[(2-fluorophenyl)methylamino]-N-propylpyrimidine-5-carboxamide.
What is the SMILES notation for 2-[(2-fluorophenyl)methylamino]-N-propylpyrimidine-5-carboxamide?
The canonical SMILES for 2-[(2-fluorophenyl)methylamino]-N-propylpyrimidine-5-carboxamide is CCCNC(=O)c1cnc(NCc2ccccc2F)nc1.
What is the InChIKey of 2-[(2-fluorophenyl)methylamino]-N-propylpyrimidine-5-carboxamide?
The InChIKey is VOYMZXIJIDUQED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4O/c1-2-7-17-14(21)12-9-19-15(20-10-12)18-8-11-5-3-4-6-13(11)16/h3-6,9-10H,2,7-8H2,1H3,(H,17,21)(H,18,19,20).
What are the key properties of 2-[(2-fluorophenyl)methylamino]-N-propylpyrimidine-5-carboxamide?
2-[(2-fluorophenyl)methylamino]-N-propylpyrimidine-5-carboxamide has a molecular weight of 288.33 g/mol, XLogP of 2.37, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)methylamino]-N-propylpyrimidine-5-carboxamide is sourced from PubChem (CID 109246495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).