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

C17H16N4O3 — CID 11381738

IUPAC2-amino-6-(furan-2-yl)-N-[(3-methoxyphenyl)methyl]pyrimidine-4-carboxamide
SMILESCOc1cccc(CNC(=O)c2cc(-c3ccco3)nc(N)n2)c1
InChIInChI=1S/C17H16N4O3/c1-23-12-5-2-4-11(8-12)10-19-16(22)14-9-13(20-17(18)21-14)15-6-3-7-24-15/h2-9H,10H2,1H3,(H,19,22)(H2,18,20,21)
InChIKeyYFRHZCQZSUBSEY-UHFFFAOYSA-N
MW324.34 g/mol
LogP2.26
Rot. Bonds5

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

2-amino-6-(furan-2-yl)-N-[(3-methoxyphenyl)methyl]pyrimidine-4-carboxamide (PubChem CID 11381738) has the molecular formula C17H16N4O3 and a molecular weight of 324.34 g/mol. Its IUPAC name is 2-amino-6-(furan-2-yl)-N-[(3-methoxyphenyl)methyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-amino-6-(furan-2-yl)-N-[(3-methoxyphenyl)methyl]pyrimidine-4-carboxamide
PubChem CID11381738
Molecular FormulaC17H16N4O3
Molecular Weight324.34 g/mol
Exact Mass324.12
IUPAC Name2-amino-6-(furan-2-yl)-N-[(3-methoxyphenyl)methyl]pyrimidine-4-carboxamide
SMILESCOc1cccc(CNC(=O)c2cc(-c3ccco3)nc(N)n2)c1
InChIInChI=1S/C17H16N4O3/c1-23-12-5-2-4-11(8-12)10-19-16(22)14-9-13(20-17(18)21-14)15-6-3-7-24-15/h2-9H,10H2,1H3,(H,19,22)(H2,18,20,21)
InChIKeyYFRHZCQZSUBSEY-UHFFFAOYSA-N
XLogP2.26
TPSA103.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

Pyrimidine-4-carboxamide, 26
CID 11220580
Pyrimidine-4-carboxamide, 122
CID 11232232
Pyrimidine-4-carboxamide, 109
CID 11324754
Pyrimidine-4-carboxamide, 117
CID 11381773
Pyrimidine-4-carboxamide, 25
CID 11426423
Pyrimidine-4-carboxamide, 27
CID 44520941
4-Pyrimidinecarboxamide,6-(5-methyl-2-furanyl)-n-(2-pyridinylmethyl)-
CID 44520975
4-Pyrimidinecarboxamide,2-amino-6-(5-methyl-2-furanyl)-n-[(6-methyl-2-pyridinyl)methyl]-
CID 44520976
Pyrimidine-4-carboxamide, 115
CID 44520980
2-amino-N-[[6-(cyclopentyloxymethyl)-2-pyridinyl]methyl]-8-methoxyquinazoline-4-carboxamide
CID 122444911
2-amino-8-methoxy-N-[(6-methoxy-2-pyridinyl)methyl]quinazoline-4-carboxamide
CID 122444920
2-amino-N-[[6-[(2-fluorophenoxy)methyl]-2-pyridinyl]methyl]-8-methoxyquinazoline-4-carboxamide
CID 122444984

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(furan-2-yl)-N-[(3-methoxyphenyl)methyl]pyrimidine-4-carboxamide?
The IUPAC name of 2-amino-6-(furan-2-yl)-N-[(3-methoxyphenyl)methyl]pyrimidine-4-carboxamide (CID 11381738) is 2-amino-6-(furan-2-yl)-N-[(3-methoxyphenyl)methyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 2-amino-6-(furan-2-yl)-N-[(3-methoxyphenyl)methyl]pyrimidine-4-carboxamide?
The canonical SMILES for 2-amino-6-(furan-2-yl)-N-[(3-methoxyphenyl)methyl]pyrimidine-4-carboxamide is COc1cccc(CNC(=O)c2cc(-c3ccco3)nc(N)n2)c1.
What is the InChIKey of 2-amino-6-(furan-2-yl)-N-[(3-methoxyphenyl)methyl]pyrimidine-4-carboxamide?
The InChIKey is YFRHZCQZSUBSEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O3/c1-23-12-5-2-4-11(8-12)10-19-16(22)14-9-13(20-17(18)21-14)15-6-3-7-24-15/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-methoxyphenyl)methyl]pyrimidine-4-carboxamide?
2-amino-6-(furan-2-yl)-N-[(3-methoxyphenyl)methyl]pyrimidine-4-carboxamide has a molecular weight of 324.34 g/mol, XLogP of 2.26, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(furan-2-yl)-N-[(3-methoxyphenyl)methyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 11381738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).