N-(6-ethyl-2-methylpyrimidin-4-yl)furan-2-carboxamide

C12H13N3O2 — CID 71999099

IUPACN-(6-ethyl-2-methylpyrimidin-4-yl)furan-2-carboxamide
SMILESCCc1cc(NC(=O)c2ccco2)nc(C)n1
InChIInChI=1S/C12H13N3O2/c1-3-9-7-11(14-8(2)13-9)15-12(16)10-5-4-6-17-10/h4-7H,3H2,1-2H3,(H,13,14,15,16)
InChIKeyIGCRPANCFSEZNI-UHFFFAOYSA-N
MW231.25 g/mol
LogP2.19
Rot. Bonds3

About N-(6-ethyl-2-methylpyrimidin-4-yl)furan-2-carboxamide

N-(6-ethyl-2-methylpyrimidin-4-yl)furan-2-carboxamide (PubChem CID 71999099) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is N-(6-ethyl-2-methylpyrimidin-4-yl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(6-ethyl-2-methylpyrimidin-4-yl)furan-2-carboxamide
PubChem CID71999099
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC NameN-(6-ethyl-2-methylpyrimidin-4-yl)furan-2-carboxamide
SMILESCCc1cc(NC(=O)c2ccco2)nc(C)n1
InChIInChI=1S/C12H13N3O2/c1-3-9-7-11(14-8(2)13-9)15-12(16)10-5-4-6-17-10/h4-7H,3H2,1-2H3,(H,13,14,15,16)
InChIKeyIGCRPANCFSEZNI-UHFFFAOYSA-N
XLogP2.19
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-{4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl}furan-2-carboxamide
CID 1241577
N,N'-2,6-pyridinediylbis(5-methyl-2-furamide)
CID 897337
N-(4-methyl-2-pyrimidinyl)-2-furamide
CID 974122
N-[5-[(2,2-dimethyl-1-oxopropyl)amino]-2-pyridinyl]-2-furancarboxamide
CID 1452801
N-(4,6-dimethylpyrimidin-2-yl)-5-methylfuran-2-carboxamide
CID 2970264
N-[6-(pentanoylamino)pyridin-3-yl]furan-2-carboxamide
CID 3213149
2-[(4,6-Dimethyl-2-pyrimidinyl)sulfanyl]-N-(2-furylmethyl)acetamide
CID 588017
N-(4-{[(4,6-dimethyl-2-pyrimidinyl)amino]sulfonyl}phenyl)-2-furamide
CID 986954
N-(5-methylpyridin-2-yl)furan-2-carboxamide
CID 835267
Furan-2-carboxylic acid (6-isobutyrylamino-pyridin-3-yl)-amide
CID 649659
N-(4,6-dimethylpyrimidin-2-yl)-5-nitrofuran-2-carboxamide
CID 802584
N-(6-methyl-2-pyridinyl)-5-nitro-2-furancarboxamide
CID 823976

Frequently Asked Questions

What is the IUPAC name of N-(6-ethyl-2-methylpyrimidin-4-yl)furan-2-carboxamide?
The IUPAC name of N-(6-ethyl-2-methylpyrimidin-4-yl)furan-2-carboxamide (CID 71999099) is N-(6-ethyl-2-methylpyrimidin-4-yl)furan-2-carboxamide.
What is the SMILES notation for N-(6-ethyl-2-methylpyrimidin-4-yl)furan-2-carboxamide?
The canonical SMILES for N-(6-ethyl-2-methylpyrimidin-4-yl)furan-2-carboxamide is CCc1cc(NC(=O)c2ccco2)nc(C)n1.
What is the InChIKey of N-(6-ethyl-2-methylpyrimidin-4-yl)furan-2-carboxamide?
The InChIKey is IGCRPANCFSEZNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-3-9-7-11(14-8(2)13-9)15-12(16)10-5-4-6-17-10/h4-7H,3H2,1-2H3,(H,13,14,15,16).
What are the key properties of N-(6-ethyl-2-methylpyrimidin-4-yl)furan-2-carboxamide?
N-(6-ethyl-2-methylpyrimidin-4-yl)furan-2-carboxamide has a molecular weight of 231.25 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-ethyl-2-methylpyrimidin-4-yl)furan-2-carboxamide is sourced from PubChem (CID 71999099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).