N-(4,6-dimethylpyrimidin-2-yl)-5-methylfuran-2-carboxamide

C12H13N3O2 — CID 2970264

IUPACN-(4,6-dimethylpyrimidin-2-yl)-5-methylfuran-2-carboxamide
SMILESCc1cc(C)nc(NC(=O)c2ccc(C)o2)n1
InChIInChI=1S/C12H13N3O2/c1-7-6-8(2)14-12(13-7)15-11(16)10-5-4-9(3)17-10/h4-6H,1-3H3,(H,13,14,15,16)
InChIKeySXKDVGASDHWHBT-UHFFFAOYSA-N
MW231.25 g/mol
LogP2.25
Rot. Bonds2

About N-(4,6-dimethylpyrimidin-2-yl)-5-methylfuran-2-carboxamide

N-(4,6-dimethylpyrimidin-2-yl)-5-methylfuran-2-carboxamide (PubChem CID 2970264) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is N-(4,6-dimethylpyrimidin-2-yl)-5-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-(4,6-dimethylpyrimidin-2-yl)-5-methylfuran-2-carboxamide
PubChem CID2970264
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC NameN-(4,6-dimethylpyrimidin-2-yl)-5-methylfuran-2-carboxamide
SMILESCc1cc(C)nc(NC(=O)c2ccc(C)o2)n1
InChIInChI=1S/C12H13N3O2/c1-7-6-8(2)14-12(13-7)15-11(16)10-5-4-9(3)17-10/h4-6H,1-3H3,(H,13,14,15,16)
InChIKeySXKDVGASDHWHBT-UHFFFAOYSA-N
XLogP2.25
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N'-2,6-pyridinediylbis(5-methyl-2-furamide)
CID 897337
N-(4-methyl-2-pyrimidinyl)-2-furamide
CID 974122
N-(4,6-dimethylpyrimidin-2-yl)-5-nitrofuran-2-carboxamide
CID 802584
N-(4-((4-methyl-6-(pyrrolidin-1-yl)pyrimidin-2-yl)amino)phenyl)furan-2-carboxamide
CID 44522249
5-bromo-N-(5-bromo-6-methyl-2-pyridinyl)-2-furamide
CID 1017492
N-(6-methylpyridin-2-yl)-5-(phenoxymethyl)furan-2-carboxamide
CID 24240394
N-(4-((4-(ethylamino)-6-methylpyrimidin-2-yl)amino)phenyl)furan-2-carboxamide
CID 44522257
N-(4,6-dimethylpyridin-2-yl)furan-2-carboxamide
CID 720493
N-(4,6-dimethylpyrimidin-2-yl)-1-benzofuran-2-carboxamide
CID 802234
N-[2-[(6-methyl-2-pyridinyl)amino]-2-oxoethyl]furan-2-carboxamide
CID 24981899
N-[(6-methylpyridin-2-yl)carbamothioyl]furan-2-carboxamide
CID 817320
5-bromo-N-(4-((4-(dimethylamino)-6-methylpyrimidin-2-yl)amino)phenyl)furan-2-carboxamide
CID 27478381

Frequently Asked Questions

What is the IUPAC name of N-(4,6-dimethylpyrimidin-2-yl)-5-methylfuran-2-carboxamide?
The IUPAC name of N-(4,6-dimethylpyrimidin-2-yl)-5-methylfuran-2-carboxamide (CID 2970264) is N-(4,6-dimethylpyrimidin-2-yl)-5-methylfuran-2-carboxamide.
What is the SMILES notation for N-(4,6-dimethylpyrimidin-2-yl)-5-methylfuran-2-carboxamide?
The canonical SMILES for N-(4,6-dimethylpyrimidin-2-yl)-5-methylfuran-2-carboxamide is Cc1cc(C)nc(NC(=O)c2ccc(C)o2)n1.
What is the InChIKey of N-(4,6-dimethylpyrimidin-2-yl)-5-methylfuran-2-carboxamide?
The InChIKey is SXKDVGASDHWHBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-7-6-8(2)14-12(13-7)15-11(16)10-5-4-9(3)17-10/h4-6H,1-3H3,(H,13,14,15,16).
What are the key properties of N-(4,6-dimethylpyrimidin-2-yl)-5-methylfuran-2-carboxamide?
N-(4,6-dimethylpyrimidin-2-yl)-5-methylfuran-2-carboxamide has a molecular weight of 231.25 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dimethylpyrimidin-2-yl)-5-methylfuran-2-carboxamide is sourced from PubChem (CID 2970264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).