N-[2-(4-fluorophenyl)ethyl]-2-(propylamino)pyrimidine-4-carboxamide

C16H19FN4O — CID 109294765

IUPACN-[2-(4-fluorophenyl)ethyl]-2-(propylamino)pyrimidine-4-carboxamide
SMILESCCCNc1nccc(C(=O)NCCc2ccc(F)cc2)n1
InChIInChI=1S/C16H19FN4O/c1-2-9-19-16-20-11-8-14(21-16)15(22)18-10-7-12-3-5-13(17)6-4-12/h3-6,8,11H,2,7,9-10H2,1H3,(H,18,22)(H,19,20,21)
InChIKeyFLKMPZNTJZGNLC-UHFFFAOYSA-N
MW302.35 g/mol
LogP2.41
Rot. Bonds7

About N-[2-(4-fluorophenyl)ethyl]-2-(propylamino)pyrimidine-4-carboxamide

N-[2-(4-fluorophenyl)ethyl]-2-(propylamino)pyrimidine-4-carboxamide (PubChem CID 109294765) has the molecular formula C16H19FN4O and a molecular weight of 302.35 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-2-(propylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-2-(propylamino)pyrimidine-4-carboxamide
PubChem CID109294765
Molecular FormulaC16H19FN4O
Molecular Weight302.35 g/mol
Exact Mass302.15
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-2-(propylamino)pyrimidine-4-carboxamide
SMILESCCCNc1nccc(C(=O)NCCc2ccc(F)cc2)n1
InChIInChI=1S/C16H19FN4O/c1-2-9-19-16-20-11-8-14(21-16)15(22)18-10-7-12-3-5-13(17)6-4-12/h3-6,8,11H,2,7,9-10H2,1H3,(H,18,22)(H,19,20,21)
InChIKeyFLKMPZNTJZGNLC-UHFFFAOYSA-N
XLogP2.41
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 ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-fluorophenyl)ethyl]-2-(2-methoxyethylamino)pyrimidine-4-carboxamide
CID 109299633
N-[2-(4-chlorophenyl)ethyl]-2-[2-(4-fluorophenyl)ethylamino]pyrimidine-4-carboxamide
CID 109308380
N-butyl-2-[(4-fluorophenyl)methylamino]pyrimidine-4-carboxamide
CID 109296526
N-[2-(4-fluorophenyl)ethyl]-2-[2-(2-methoxyphenyl)ethylamino]pyrimidine-4-carboxamide
CID 109308462
2-[2-(4-fluorophenyl)ethylamino]-N-prop-2-enylpyrimidine-4-carboxamide
CID 109296149
N-(4-fluorophenyl)-2-[2-(4-fluorophenyl)ethylamino]pyrimidine-4-carboxamide
CID 109308419
N-butan-2-yl-2-[2-(4-fluorophenyl)ethylamino]pyrimidine-4-carboxamide
CID 109297311
2-(cyclopropylamino)-N-[2-(4-fluorophenyl)ethyl]pyrimidine-4-carboxamide
CID 109295559
6-N-[2-(4-fluorophenyl)ethyl]-2-N-propylpyridine-2,6-dicarboxamide
CID 109093462
2-[(4-fluorophenyl)methylamino]-N-[2-(3-methoxyphenyl)ethyl]pyrimidine-4-carboxamide
CID 109305509
2-[2-(4-methoxyphenyl)ethylamino]-N-pentylpyrimidine-4-carboxamide
CID 109308814
2-N-[2-(4-fluorophenyl)ethyl]-4-N-propylpyridine-2,4-dicarboxamide
CID 109077658

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-2-(propylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-2-(propylamino)pyrimidine-4-carboxamide (CID 109294765) is N-[2-(4-fluorophenyl)ethyl]-2-(propylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-2-(propylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-2-(propylamino)pyrimidine-4-carboxamide is CCCNc1nccc(C(=O)NCCc2ccc(F)cc2)n1.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-2-(propylamino)pyrimidine-4-carboxamide?
The InChIKey is FLKMPZNTJZGNLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4O/c1-2-9-19-16-20-11-8-14(21-16)15(22)18-10-7-12-3-5-13(17)6-4-12/h3-6,8,11H,2,7,9-10H2,1H3,(H,18,22)(H,19,20,21).
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-2-(propylamino)pyrimidine-4-carboxamide?
N-[2-(4-fluorophenyl)ethyl]-2-(propylamino)pyrimidine-4-carboxamide has a molecular weight of 302.35 g/mol, XLogP of 2.41, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)ethyl]-2-(propylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109294765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).