1-[4-amino-5-(furan-2-yl)-7-methyl-5H-pyrano[2,3-d]pyrimidin-6-yl]ethanone

C14H13N3O3 — CID 5158801

IUPAC1-[4-amino-5-(furan-2-yl)-7-methyl-5H-pyrano[2,3-d]pyrimidin-6-yl]ethanone
SMILESCC(=O)C1=C(C)Oc2ncnc(N)c2C1c1ccco1
InChIInChI=1S/C14H13N3O3/c1-7(18)10-8(2)20-14-12(13(15)16-6-17-14)11(10)9-4-3-5-19-9/h3-6,11H,1-2H3,(H2,15,16,17)
InChIKeyJIFGTFHULJIVFE-UHFFFAOYSA-N
MW271.28 g/mol
LogP2.04
Rot. Bonds2

About 1-[4-amino-5-(furan-2-yl)-7-methyl-5H-pyrano[2,3-d]pyrimidin-6-yl]ethanone

1-[4-amino-5-(furan-2-yl)-7-methyl-5H-pyrano[2,3-d]pyrimidin-6-yl]ethanone (PubChem CID 5158801) has the molecular formula C14H13N3O3 and a molecular weight of 271.28 g/mol. Its IUPAC name is 1-[4-amino-5-(furan-2-yl)-7-methyl-5H-pyrano[2,3-d]pyrimidin-6-yl]ethanone.

Molecular Properties

Compound Name1-[4-amino-5-(furan-2-yl)-7-methyl-5H-pyrano[2,3-d]pyrimidin-6-yl]ethanone
PubChem CID5158801
Molecular FormulaC14H13N3O3
Molecular Weight271.28 g/mol
Exact Mass271.10
IUPAC Name1-[4-amino-5-(furan-2-yl)-7-methyl-5H-pyrano[2,3-d]pyrimidin-6-yl]ethanone
SMILESCC(=O)C1=C(C)Oc2ncnc(N)c2C1c1ccco1
InChIInChI=1S/C14H13N3O3/c1-7(18)10-8(2)20-14-12(13(15)16-6-17-14)11(10)9-4-3-5-19-9/h3-6,11H,1-2H3,(H2,15,16,17)
InChIKeyJIFGTFHULJIVFE-UHFFFAOYSA-N
XLogP2.04
TPSA91.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[4-amino-5-(furan-2-yl)-7-methyl-5H-pyrano[2,3-d]pyrimidin-6-yl]ethanone with MolForge

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Related Compounds

(4S)-5-acetyl-2-amino-4-(furan-2-yl)-6-methyl-4H-pyran-3-carbonitrile
CID 698512
1-[(13S)-13-(furan-2-yl)-4-(4-methoxyphenyl)-11-methyl-10-oxa-3,5,6,8-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7,11-pentaen-12-yl]ethanone
CID 7641293
1-[(13R)-4-[4-(dimethylamino)phenyl]-13-(furan-2-yl)-11-methyl-10-oxa-3,5,6,8-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7,11-pentaen-12-yl]ethanone
CID 7640649
1-[(13S)-13-(furan-2-yl)-11-methyl-4-(3-methylphenyl)-10-oxa-3,5,6,8-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7,11-pentaen-12-yl]ethanone
CID 7640835
1-[13-(furan-2-yl)-4-(3-hydroxynaphthalen-2-yl)-11-methyl-10-oxa-3,5,6,8-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7,11-pentaen-12-yl]ethanone
CID 4899128
(4S)-5-acetyl-4-(furan-2-yl)-6-methyl-3,4-dihydropyran-2-one
CID 132597033
ethyl 13-(furan-2-yl)-4-(2-hydroxyphenyl)-11-methyl-10-oxa-3,5,6,8-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7,11-pentaene-12-carboxylate
CID 4975970
ethyl 5-acetyl-4-(furan-2-yl)-2,6-dimethyl-1,4-dihydropyridine-3-carboxylate
CID 102176360
1-[(13R)-4,11-dimethyl-13-phenyl-10-oxa-3,5,6,8-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7,11-pentaen-12-yl]ethanone
CID 7640801
5-acetyl-2-amino-6-methyl-4-phenyl-4H-pyran-3-carboxamide
CID 132503264
6-(5-acetyl-2-amino-3-cyano-6-methyl-4H-pyran-4-yl)pyridine-2-carbonitrile
CID 135297049
(6R)-5-acetyl-3-ethyl-6-(furan-2-yl)-4-methyl-1,6-dihydropyrimidin-2-one
CID 16759650

Frequently Asked Questions

What is the IUPAC name of 1-[4-amino-5-(furan-2-yl)-7-methyl-5H-pyrano[2,3-d]pyrimidin-6-yl]ethanone?
The IUPAC name of 1-[4-amino-5-(furan-2-yl)-7-methyl-5H-pyrano[2,3-d]pyrimidin-6-yl]ethanone (CID 5158801) is 1-[4-amino-5-(furan-2-yl)-7-methyl-5H-pyrano[2,3-d]pyrimidin-6-yl]ethanone.
What is the SMILES notation for 1-[4-amino-5-(furan-2-yl)-7-methyl-5H-pyrano[2,3-d]pyrimidin-6-yl]ethanone?
The canonical SMILES for 1-[4-amino-5-(furan-2-yl)-7-methyl-5H-pyrano[2,3-d]pyrimidin-6-yl]ethanone is CC(=O)C1=C(C)Oc2ncnc(N)c2C1c1ccco1.
What is the InChIKey of 1-[4-amino-5-(furan-2-yl)-7-methyl-5H-pyrano[2,3-d]pyrimidin-6-yl]ethanone?
The InChIKey is JIFGTFHULJIVFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O3/c1-7(18)10-8(2)20-14-12(13(15)16-6-17-14)11(10)9-4-3-5-19-9/h3-6,11H,1-2H3,(H2,15,16,17).
What are the key properties of 1-[4-amino-5-(furan-2-yl)-7-methyl-5H-pyrano[2,3-d]pyrimidin-6-yl]ethanone?
1-[4-amino-5-(furan-2-yl)-7-methyl-5H-pyrano[2,3-d]pyrimidin-6-yl]ethanone has a molecular weight of 271.28 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-amino-5-(furan-2-yl)-7-methyl-5H-pyrano[2,3-d]pyrimidin-6-yl]ethanone is sourced from PubChem (CID 5158801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).