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

C16H19FN4O — CID 109248264

IUPAC2-(butylamino)-N-[(2-fluorophenyl)methyl]pyrimidine-5-carboxamide
SMILESCCCCNc1ncc(C(=O)NCc2ccccc2F)cn1
InChIInChI=1S/C16H19FN4O/c1-2-3-8-18-16-20-10-13(11-21-16)15(22)19-9-12-6-4-5-7-14(12)17/h4-7,10-11H,2-3,8-9H2,1H3,(H,19,22)(H,18,20,21)
InChIKeyQNQSIWCUOALZER-UHFFFAOYSA-N
MW302.35 g/mol
LogP2.76
Rot. Bonds7

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

2-(butylamino)-N-[(2-fluorophenyl)methyl]pyrimidine-5-carboxamide (PubChem CID 109248264) has the molecular formula C16H19FN4O and a molecular weight of 302.35 g/mol. Its IUPAC name is 2-(butylamino)-N-[(2-fluorophenyl)methyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(butylamino)-N-[(2-fluorophenyl)methyl]pyrimidine-5-carboxamide
PubChem CID109248264
Molecular FormulaC16H19FN4O
Molecular Weight302.35 g/mol
Exact Mass302.15
IUPAC Name2-(butylamino)-N-[(2-fluorophenyl)methyl]pyrimidine-5-carboxamide
SMILESCCCCNc1ncc(C(=O)NCc2ccccc2F)cn1
InChIInChI=1S/C16H19FN4O/c1-2-3-8-18-16-20-10-13(11-21-16)15(22)19-9-12-6-4-5-7-14(12)17/h4-7,10-11H,2-3,8-9H2,1H3,(H,19,22)(H,18,20,21)
InChIKeyQNQSIWCUOALZER-UHFFFAOYSA-N
XLogP2.76
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-fluorophenyl)methylamino]-N-propylpyrimidine-5-carboxamide
CID 109246495
N-[(2-fluorophenyl)methyl]-2-(3-methylbutylamino)pyrimidine-5-carboxamide
CID 109256911
2-[2-(2-fluorophenyl)ethylamino]-N-propylpyrimidine-5-carboxamide
CID 109246508
2-(benzylamino)-N-[(2-fluorophenyl)methyl]pyrimidine-5-carboxamide
CID 109255377
1-N-butyl-4-N-[(2-fluorophenyl)methyl]benzene-1,4-dicarboxamide
CID 109043672
N-[(2-fluorophenyl)methyl]-2-(prop-2-enylamino)pyrimidine-5-carboxamide
CID 109247875
1-N-butyl-3-N-[(2-fluorophenyl)methyl]benzene-1,3-dicarboxamide
CID 109051080
N-[(2-fluorophenyl)methyl]-6-(propylamino)pyridine-3-carboxamide
CID 62166042
N-[(2-fluorophenyl)methyl]-2-[(3-methylphenyl)methylamino]pyrimidine-5-carboxamide
CID 109255942
2-anilino-N-[(2-fluorophenyl)methyl]pyrimidine-5-carboxamide
CID 109256919
4-N-butyl-2-N-[(2-fluorophenyl)methyl]pyridine-2,4-dicarboxamide
CID 109079208
6-(butylamino)-N-[2-(2-fluorophenyl)ethyl]pyridine-3-carboxamide
CID 109151574

Frequently Asked Questions

What is the IUPAC name of 2-(butylamino)-N-[(2-fluorophenyl)methyl]pyrimidine-5-carboxamide?
The IUPAC name of 2-(butylamino)-N-[(2-fluorophenyl)methyl]pyrimidine-5-carboxamide (CID 109248264) is 2-(butylamino)-N-[(2-fluorophenyl)methyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(butylamino)-N-[(2-fluorophenyl)methyl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-(butylamino)-N-[(2-fluorophenyl)methyl]pyrimidine-5-carboxamide is CCCCNc1ncc(C(=O)NCc2ccccc2F)cn1.
What is the InChIKey of 2-(butylamino)-N-[(2-fluorophenyl)methyl]pyrimidine-5-carboxamide?
The InChIKey is QNQSIWCUOALZER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4O/c1-2-3-8-18-16-20-10-13(11-21-16)15(22)19-9-12-6-4-5-7-14(12)17/h4-7,10-11H,2-3,8-9H2,1H3,(H,19,22)(H,18,20,21).
What are the key properties of 2-(butylamino)-N-[(2-fluorophenyl)methyl]pyrimidine-5-carboxamide?
2-(butylamino)-N-[(2-fluorophenyl)methyl]pyrimidine-5-carboxamide has a molecular weight of 302.35 g/mol, XLogP of 2.76, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butylamino)-N-[(2-fluorophenyl)methyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 109248264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).