4-acetyl-2-[(2-chloro-6-methylpyrimidin-4-yl)amino]-5-methylfuran-3-carboxamide

C13H13ClN4O3 — CID 108776609

IUPAC4-acetyl-2-[(2-chloro-6-methylpyrimidin-4-yl)amino]-5-methylfuran-3-carboxamide
SMILESCC(=O)c1c(C)oc(Nc2cc(C)nc(Cl)n2)c1C(N)=O
InChIInChI=1S/C13H13ClN4O3/c1-5-4-8(18-13(14)16-5)17-12-10(11(15)20)9(6(2)19)7(3)21-12/h4H,1-3H3,(H2,15,20)(H,16,17,18)
InChIKeyVPPNYUFGKICOPC-UHFFFAOYSA-N
MW308.73 g/mol
LogP2.38
Rot. Bonds4

About 4-acetyl-2-[(2-chloro-6-methylpyrimidin-4-yl)amino]-5-methylfuran-3-carboxamide

4-acetyl-2-[(2-chloro-6-methylpyrimidin-4-yl)amino]-5-methylfuran-3-carboxamide (PubChem CID 108776609) has the molecular formula C13H13ClN4O3 and a molecular weight of 308.73 g/mol. Its IUPAC name is 4-acetyl-2-[(2-chloro-6-methylpyrimidin-4-yl)amino]-5-methylfuran-3-carboxamide.

Molecular Properties

Compound Name4-acetyl-2-[(2-chloro-6-methylpyrimidin-4-yl)amino]-5-methylfuran-3-carboxamide
PubChem CID108776609
Molecular FormulaC13H13ClN4O3
Molecular Weight308.73 g/mol
Exact Mass308.07
IUPAC Name4-acetyl-2-[(2-chloro-6-methylpyrimidin-4-yl)amino]-5-methylfuran-3-carboxamide
SMILESCC(=O)c1c(C)oc(Nc2cc(C)nc(Cl)n2)c1C(N)=O
InChIInChI=1S/C13H13ClN4O3/c1-5-4-8(18-13(14)16-5)17-12-10(11(15)20)9(6(2)19)7(3)21-12/h4H,1-3H3,(H2,15,20)(H,16,17,18)
InChIKeyVPPNYUFGKICOPC-UHFFFAOYSA-N
XLogP2.38
TPSA111.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.73
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4-carbamoyl-2-methyl-5-[(6-methylpyrimidin-4-yl)amino]furan-3-carboxylate
CID 108774168
4-acetyl-2-[[3-[(4,6-dimethylpyrimidin-2-yl)amino]benzoyl]amino]-5-methylfuran-3-carboxamide
CID 108740715
4-acetyl-2-[(4-chlorobenzoyl)amino]-5-methylfuran-3-carboxamide
CID 108763234
N-(4-acetyl-3-carbamoyl-5-methylfuran-2-yl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide
CID 108740727
4-acetyl-2-[(5-chloro-2-methoxybenzoyl)amino]-5-methylfuran-3-carboxamide
CID 108763285
ethyl 6-[(4-acetyl-3-ethoxycarbonyl-5-methylfuran-2-yl)amino]pyridazine-3-carboxylate
CID 108776690
(2-chloro-6-methylpyrimidin-4-yl)hydrazine
CID 12581786
4-[(2-chloro-6-methylpyrimidin-4-yl)amino]butanamide
CID 62482794
2-chloro-N-(3,5-dichlorophenyl)-6-methylpyrimidin-4-amine
CID 63548876
4-acetyl-5-methyl-2-(naphthalene-1-carbonylamino)furan-3-carboxamide
CID 108763362
4-acetyl-5-methyl-2-[(4-methylphenyl)sulfonylamino]furan-3-carboxamide
CID 108782851
1-(2-chloro-6-methylpyrimidin-4-yl)ethanone
CID 142838976

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-2-[(2-chloro-6-methylpyrimidin-4-yl)amino]-5-methylfuran-3-carboxamide?
The IUPAC name of 4-acetyl-2-[(2-chloro-6-methylpyrimidin-4-yl)amino]-5-methylfuran-3-carboxamide (CID 108776609) is 4-acetyl-2-[(2-chloro-6-methylpyrimidin-4-yl)amino]-5-methylfuran-3-carboxamide.
What is the SMILES notation for 4-acetyl-2-[(2-chloro-6-methylpyrimidin-4-yl)amino]-5-methylfuran-3-carboxamide?
The canonical SMILES for 4-acetyl-2-[(2-chloro-6-methylpyrimidin-4-yl)amino]-5-methylfuran-3-carboxamide is CC(=O)c1c(C)oc(Nc2cc(C)nc(Cl)n2)c1C(N)=O.
What is the InChIKey of 4-acetyl-2-[(2-chloro-6-methylpyrimidin-4-yl)amino]-5-methylfuran-3-carboxamide?
The InChIKey is VPPNYUFGKICOPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN4O3/c1-5-4-8(18-13(14)16-5)17-12-10(11(15)20)9(6(2)19)7(3)21-12/h4H,1-3H3,(H2,15,20)(H,16,17,18).
What are the key properties of 4-acetyl-2-[(2-chloro-6-methylpyrimidin-4-yl)amino]-5-methylfuran-3-carboxamide?
4-acetyl-2-[(2-chloro-6-methylpyrimidin-4-yl)amino]-5-methylfuran-3-carboxamide has a molecular weight of 308.73 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-2-[(2-chloro-6-methylpyrimidin-4-yl)amino]-5-methylfuran-3-carboxamide is sourced from PubChem (CID 108776609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).