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

C15H15FN4O — CID 109247875

IUPACN-[(2-fluorophenyl)methyl]-2-(prop-2-enylamino)pyrimidine-5-carboxamide
SMILESC=CCNc1ncc(C(=O)NCc2ccccc2F)cn1
InChIInChI=1S/C15H15FN4O/c1-2-7-17-15-19-9-12(10-20-15)14(21)18-8-11-5-3-4-6-13(11)16/h2-6,9-10H,1,7-8H2,(H,18,21)(H,17,19,20)
InChIKeyYJTDGILDHZXGRU-UHFFFAOYSA-N
MW286.31 g/mol
LogP2.14
Rot. Bonds6

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

N-[(2-fluorophenyl)methyl]-2-(prop-2-enylamino)pyrimidine-5-carboxamide (PubChem CID 109247875) has the molecular formula C15H15FN4O and a molecular weight of 286.31 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-2-(prop-2-enylamino)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-2-(prop-2-enylamino)pyrimidine-5-carboxamide
PubChem CID109247875
Molecular FormulaC15H15FN4O
Molecular Weight286.31 g/mol
Exact Mass286.12
IUPAC NameN-[(2-fluorophenyl)methyl]-2-(prop-2-enylamino)pyrimidine-5-carboxamide
SMILESC=CCNc1ncc(C(=O)NCc2ccccc2F)cn1
InChIInChI=1S/C15H15FN4O/c1-2-7-17-15-19-9-12(10-20-15)14(21)18-8-11-5-3-4-6-13(11)16/h2-6,9-10H,1,7-8H2,(H,18,21)(H,17,19,20)
InChIKeyYJTDGILDHZXGRU-UHFFFAOYSA-N
XLogP2.14
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(benzylamino)-N-[(2-fluorophenyl)methyl]pyrimidine-5-carboxamide
CID 109255377
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-anilino-N-[(2-fluorophenyl)methyl]pyrimidine-5-carboxamide
CID 109256919
2-[(2-fluorophenyl)methylamino]-N-phenylpyrimidine-5-carboxamide
CID 109257045
N-[(2-fluorophenyl)methyl]-2-[(3-methylphenyl)methylamino]pyrimidine-5-carboxamide
CID 109255942
2-(prop-2-enylamino)-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide
CID 109247885
N-[2-(2-methoxyphenyl)ethyl]-2-(prop-2-enylamino)pyrimidine-5-carboxamide
CID 109247890
N-[2-(4-chlorophenyl)ethyl]-2-[(2-fluorophenyl)methylamino]pyrimidine-5-carboxamide
CID 109257024
4-[(2-fluorophenyl)methylamino]-N-prop-2-enylbenzamide
CID 60931867
2-[(2-fluorophenyl)methylamino]-N-[2-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide
CID 109257093

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-2-(prop-2-enylamino)pyrimidine-5-carboxamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-2-(prop-2-enylamino)pyrimidine-5-carboxamide (CID 109247875) is N-[(2-fluorophenyl)methyl]-2-(prop-2-enylamino)pyrimidine-5-carboxamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-2-(prop-2-enylamino)pyrimidine-5-carboxamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-2-(prop-2-enylamino)pyrimidine-5-carboxamide is C=CCNc1ncc(C(=O)NCc2ccccc2F)cn1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-2-(prop-2-enylamino)pyrimidine-5-carboxamide?
The InChIKey is YJTDGILDHZXGRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN4O/c1-2-7-17-15-19-9-12(10-20-15)14(21)18-8-11-5-3-4-6-13(11)16/h2-6,9-10H,1,7-8H2,(H,18,21)(H,17,19,20).
What are the key properties of N-[(2-fluorophenyl)methyl]-2-(prop-2-enylamino)pyrimidine-5-carboxamide?
N-[(2-fluorophenyl)methyl]-2-(prop-2-enylamino)pyrimidine-5-carboxamide has a molecular weight of 286.31 g/mol, XLogP of 2.14, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-2-(prop-2-enylamino)pyrimidine-5-carboxamide is sourced from PubChem (CID 109247875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).