2-amino-6-(furan-2-yl)-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide

C17H16N4O2 — CID 11162618

IUPAC2-amino-6-(furan-2-yl)-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide
SMILESCc1cccc(CNC(=O)c2cc(-c3ccco3)nc(N)n2)c1
InChIInChI=1S/C17H16N4O2/c1-11-4-2-5-12(8-11)10-19-16(22)14-9-13(20-17(18)21-14)15-6-3-7-23-15/h2-9H,10H2,1H3,(H,19,22)(H2,18,20,21)
InChIKeyXCILVOURWDGPPK-UHFFFAOYSA-N
MW308.34 g/mol
LogP2.56
Rot. Bonds4

About 2-amino-6-(furan-2-yl)-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide

2-amino-6-(furan-2-yl)-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide (PubChem CID 11162618) has the molecular formula C17H16N4O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is 2-amino-6-(furan-2-yl)-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-amino-6-(furan-2-yl)-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide
PubChem CID11162618
Molecular FormulaC17H16N4O2
Molecular Weight308.34 g/mol
Exact Mass308.13
IUPAC Name2-amino-6-(furan-2-yl)-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide
SMILESCc1cccc(CNC(=O)c2cc(-c3ccco3)nc(N)n2)c1
InChIInChI=1S/C17H16N4O2/c1-11-4-2-5-12(8-11)10-19-16(22)14-9-13(20-17(18)21-14)15-6-3-7-23-15/h2-9H,10H2,1H3,(H,19,22)(H2,18,20,21)
InChIKeyXCILVOURWDGPPK-UHFFFAOYSA-N
XLogP2.56
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(furan-2-yl)-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide?
The IUPAC name of 2-amino-6-(furan-2-yl)-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide (CID 11162618) is 2-amino-6-(furan-2-yl)-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 2-amino-6-(furan-2-yl)-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide?
The canonical SMILES for 2-amino-6-(furan-2-yl)-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide is Cc1cccc(CNC(=O)c2cc(-c3ccco3)nc(N)n2)c1.
What is the InChIKey of 2-amino-6-(furan-2-yl)-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide?
The InChIKey is XCILVOURWDGPPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2/c1-11-4-2-5-12(8-11)10-19-16(22)14-9-13(20-17(18)21-14)15-6-3-7-23-15/h2-9H,10H2,1H3,(H,19,22)(H2,18,20,21).
What are the key properties of 2-amino-6-(furan-2-yl)-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide?
2-amino-6-(furan-2-yl)-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide has a molecular weight of 308.34 g/mol, XLogP of 2.56, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(furan-2-yl)-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 11162618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).