6-[(2-fluorophenyl)methylamino]-N-propylpyrimidine-4-carboxamide

C15H17FN4O — CID 109338464

IUPAC6-[(2-fluorophenyl)methylamino]-N-propylpyrimidine-4-carboxamide
SMILESCCCNC(=O)c1cc(NCc2ccccc2F)ncn1
InChIInChI=1S/C15H17FN4O/c1-2-7-17-15(21)13-8-14(20-10-19-13)18-9-11-5-3-4-6-12(11)16/h3-6,8,10H,2,7,9H2,1H3,(H,17,21)(H,18,19,20)
InChIKeyWEFRTEZMBIJUJV-UHFFFAOYSA-N
MW288.33 g/mol
LogP2.37
Rot. Bonds6

About 6-[(2-fluorophenyl)methylamino]-N-propylpyrimidine-4-carboxamide

6-[(2-fluorophenyl)methylamino]-N-propylpyrimidine-4-carboxamide (PubChem CID 109338464) has the molecular formula C15H17FN4O and a molecular weight of 288.33 g/mol. Its IUPAC name is 6-[(2-fluorophenyl)methylamino]-N-propylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-[(2-fluorophenyl)methylamino]-N-propylpyrimidine-4-carboxamide
PubChem CID109338464
Molecular FormulaC15H17FN4O
Molecular Weight288.33 g/mol
Exact Mass288.14
IUPAC Name6-[(2-fluorophenyl)methylamino]-N-propylpyrimidine-4-carboxamide
SMILESCCCNC(=O)c1cc(NCc2ccccc2F)ncn1
InChIInChI=1S/C15H17FN4O/c1-2-7-17-15(21)13-8-14(20-10-19-13)18-9-11-5-3-4-6-12(11)16/h3-6,8,10H,2,7,9H2,1H3,(H,17,21)(H,18,19,20)
InChIKeyWEFRTEZMBIJUJV-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

6-[(2-fluorophenyl)methylamino]-N-prop-2-enylpyrimidine-4-carboxamide
CID 109339637
6-[(2-fluorophenyl)methylamino]-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide
CID 109348017
6-[2-(2-fluorophenyl)ethylamino]-N-pentylpyrimidine-4-carboxamide
CID 109350857
N-(2-tert-butylphenyl)-6-[(2-fluorophenyl)methylamino]pyrimidine-4-carboxamide
CID 109348071
N-butyl-6-[(2-chlorophenyl)methylamino]pyrimidine-4-carboxamide
CID 109340028
N-(3,5-dimethylphenyl)-6-[(2-fluorophenyl)methylamino]pyrimidine-4-carboxamide
CID 109348061
6-[(2-fluorophenyl)methylamino]-N-(1-phenylethyl)pyrimidine-4-carboxamide
CID 109347632
N-(3-chloro-4-methylphenyl)-6-[(2-fluorophenyl)methylamino]pyrimidine-4-carboxamide
CID 109348081
6-(2-ethylanilino)-N-propylpyrimidine-4-carboxamide
CID 109338538
N-benzyl-6-[(2-fluorophenyl)methylamino]-N-propan-2-ylpyrimidine-4-carboxamide
CID 109348042
ethyl 4-[[6-[(2-fluorophenyl)methylamino]pyrimidine-4-carbonyl]amino]benzoate
CID 109348113
6-(butylamino)-N-propylpyrimidine-4-carboxamide
CID 109338441

Frequently Asked Questions

What is the IUPAC name of 6-[(2-fluorophenyl)methylamino]-N-propylpyrimidine-4-carboxamide?
The IUPAC name of 6-[(2-fluorophenyl)methylamino]-N-propylpyrimidine-4-carboxamide (CID 109338464) is 6-[(2-fluorophenyl)methylamino]-N-propylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-[(2-fluorophenyl)methylamino]-N-propylpyrimidine-4-carboxamide?
The canonical SMILES for 6-[(2-fluorophenyl)methylamino]-N-propylpyrimidine-4-carboxamide is CCCNC(=O)c1cc(NCc2ccccc2F)ncn1.
What is the InChIKey of 6-[(2-fluorophenyl)methylamino]-N-propylpyrimidine-4-carboxamide?
The InChIKey is WEFRTEZMBIJUJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4O/c1-2-7-17-15(21)13-8-14(20-10-19-13)18-9-11-5-3-4-6-12(11)16/h3-6,8,10H,2,7,9H2,1H3,(H,17,21)(H,18,19,20).
What are the key properties of 6-[(2-fluorophenyl)methylamino]-N-propylpyrimidine-4-carboxamide?
6-[(2-fluorophenyl)methylamino]-N-propylpyrimidine-4-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 6-[(2-fluorophenyl)methylamino]-N-propylpyrimidine-4-carboxamide is sourced from PubChem (CID 109338464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).