2-amino-N-benzyl-6-(furan-2-yl)pyrimidine-4-carboxamide

C16H14N4O2 — CID 45267987

IUPAC2-amino-N-benzyl-6-(furan-2-yl)pyrimidine-4-carboxamide
SMILESNc1nc(C(=O)NCc2ccccc2)cc(-c2ccco2)n1
InChIInChI=1S/C16H14N4O2/c17-16-19-12(14-7-4-8-22-14)9-13(20-16)15(21)18-10-11-5-2-1-3-6-11/h1-9H,10H2,(H,18,21)(H2,17,19,20)
InChIKeyREBBIMYHUBYOBS-UHFFFAOYSA-N
MW294.31 g/mol
LogP2.25
Rot. Bonds4

About 2-amino-N-benzyl-6-(furan-2-yl)pyrimidine-4-carboxamide

2-amino-N-benzyl-6-(furan-2-yl)pyrimidine-4-carboxamide (PubChem CID 45267987) has the molecular formula C16H14N4O2 and a molecular weight of 294.31 g/mol. Its IUPAC name is 2-amino-N-benzyl-6-(furan-2-yl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-benzyl-6-(furan-2-yl)pyrimidine-4-carboxamide
PubChem CID45267987
Molecular FormulaC16H14N4O2
Molecular Weight294.31 g/mol
Exact Mass294.11
IUPAC Name2-amino-N-benzyl-6-(furan-2-yl)pyrimidine-4-carboxamide
SMILESNc1nc(C(=O)NCc2ccccc2)cc(-c2ccco2)n1
InChIInChI=1S/C16H14N4O2/c17-16-19-12(14-7-4-8-22-14)9-13(20-16)15(21)18-10-11-5-2-1-3-6-11/h1-9H,10H2,(H,18,21)(H2,17,19,20)
InChIKeyREBBIMYHUBYOBS-UHFFFAOYSA-N
XLogP2.25
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-benzyl-6-(furan-2-yl)pyrimidine-4-carboxamide?
The IUPAC name of 2-amino-N-benzyl-6-(furan-2-yl)pyrimidine-4-carboxamide (CID 45267987) is 2-amino-N-benzyl-6-(furan-2-yl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-amino-N-benzyl-6-(furan-2-yl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-amino-N-benzyl-6-(furan-2-yl)pyrimidine-4-carboxamide is Nc1nc(C(=O)NCc2ccccc2)cc(-c2ccco2)n1.
What is the InChIKey of 2-amino-N-benzyl-6-(furan-2-yl)pyrimidine-4-carboxamide?
The InChIKey is REBBIMYHUBYOBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O2/c17-16-19-12(14-7-4-8-22-14)9-13(20-16)15(21)18-10-11-5-2-1-3-6-11/h1-9H,10H2,(H,18,21)(H2,17,19,20).
What are the key properties of 2-amino-N-benzyl-6-(furan-2-yl)pyrimidine-4-carboxamide?
2-amino-N-benzyl-6-(furan-2-yl)pyrimidine-4-carboxamide has a molecular weight of 294.31 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-benzyl-6-(furan-2-yl)pyrimidine-4-carboxamide is sourced from PubChem (CID 45267987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).