2-amino-N-[(2-fluorophenyl)methyl]-6-(furan-2-yl)pyrimidine-4-carboxamide

C16H13FN4O2 — CID 11483771

IUPAC2-amino-N-[(2-fluorophenyl)methyl]-6-(furan-2-yl)pyrimidine-4-carboxamide
SMILESNc1nc(C(=O)NCc2ccccc2F)cc(-c2ccco2)n1
InChIInChI=1S/C16H13FN4O2/c17-11-5-2-1-4-10(11)9-19-15(22)13-8-12(20-16(18)21-13)14-6-3-7-23-14/h1-8H,9H2,(H,19,22)(H2,18,20,21)
InChIKeyZDZMRYFYFIQSFZ-UHFFFAOYSA-N
MW312.30 g/mol
LogP2.39
Rot. Bonds4

About 2-amino-N-[(2-fluorophenyl)methyl]-6-(furan-2-yl)pyrimidine-4-carboxamide

2-amino-N-[(2-fluorophenyl)methyl]-6-(furan-2-yl)pyrimidine-4-carboxamide (PubChem CID 11483771) has the molecular formula C16H13FN4O2 and a molecular weight of 312.30 g/mol. Its IUPAC name is 2-amino-N-[(2-fluorophenyl)methyl]-6-(furan-2-yl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-[(2-fluorophenyl)methyl]-6-(furan-2-yl)pyrimidine-4-carboxamide
PubChem CID11483771
Molecular FormulaC16H13FN4O2
Molecular Weight312.30 g/mol
Exact Mass312.10
IUPAC Name2-amino-N-[(2-fluorophenyl)methyl]-6-(furan-2-yl)pyrimidine-4-carboxamide
SMILESNc1nc(C(=O)NCc2ccccc2F)cc(-c2ccco2)n1
InChIInChI=1S/C16H13FN4O2/c17-11-5-2-1-4-10(11)9-19-15(22)13-8-12(20-16(18)21-13)14-6-3-7-23-14/h1-8H,9H2,(H,19,22)(H2,18,20,21)
InChIKeyZDZMRYFYFIQSFZ-UHFFFAOYSA-N
XLogP2.39
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.30
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(2-fluorophenyl)methyl]-6-(furan-2-yl)pyrimidine-4-carboxamide?
The IUPAC name of 2-amino-N-[(2-fluorophenyl)methyl]-6-(furan-2-yl)pyrimidine-4-carboxamide (CID 11483771) is 2-amino-N-[(2-fluorophenyl)methyl]-6-(furan-2-yl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-amino-N-[(2-fluorophenyl)methyl]-6-(furan-2-yl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-amino-N-[(2-fluorophenyl)methyl]-6-(furan-2-yl)pyrimidine-4-carboxamide is Nc1nc(C(=O)NCc2ccccc2F)cc(-c2ccco2)n1.
What is the InChIKey of 2-amino-N-[(2-fluorophenyl)methyl]-6-(furan-2-yl)pyrimidine-4-carboxamide?
The InChIKey is ZDZMRYFYFIQSFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN4O2/c17-11-5-2-1-4-10(11)9-19-15(22)13-8-12(20-16(18)21-13)14-6-3-7-23-14/h1-8H,9H2,(H,19,22)(H2,18,20,21).
What are the key properties of 2-amino-N-[(2-fluorophenyl)methyl]-6-(furan-2-yl)pyrimidine-4-carboxamide?
2-amino-N-[(2-fluorophenyl)methyl]-6-(furan-2-yl)pyrimidine-4-carboxamide has a molecular weight of 312.30 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(2-fluorophenyl)methyl]-6-(furan-2-yl)pyrimidine-4-carboxamide is sourced from PubChem (CID 11483771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).