2,5-dimethylpyrano[2,3-d]pyrimidin-7-one

C9H8N2O2 — CID 175809777

IUPAC2,5-dimethylpyrano[2,3-d]pyrimidin-7-one
SMILESCc1ncc2c(C)cc(=O)oc2n1
InChIInChI=1S/C9H8N2O2/c1-5-3-8(12)13-9-7(5)4-10-6(2)11-9/h3-4H,1-2H3
InChIKeyZLARMEMGMQLQEE-UHFFFAOYSA-N
MW176.17 g/mol
LogP1.20
Rot. Bonds

About 2,5-dimethylpyrano[2,3-d]pyrimidin-7-one

2,5-dimethylpyrano[2,3-d]pyrimidin-7-one (PubChem CID 175809777) has the molecular formula C9H8N2O2 and a molecular weight of 176.17 g/mol. Its IUPAC name is 2,5-dimethylpyrano[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2,5-dimethylpyrano[2,3-d]pyrimidin-7-one
PubChem CID175809777
Molecular FormulaC9H8N2O2
Molecular Weight176.17 g/mol
Exact Mass176.06
IUPAC Name2,5-dimethylpyrano[2,3-d]pyrimidin-7-one
SMILESCc1ncc2c(C)cc(=O)oc2n1
InChIInChI=1S/C9H8N2O2/c1-5-3-8(12)13-9-7(5)4-10-6(2)11-9/h3-4H,1-2H3
InChIKeyZLARMEMGMQLQEE-UHFFFAOYSA-N
XLogP1.20
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.17
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,6-dimethylfuro[2,3-d]pyrimidine-5-carbonitrile
CID 82411697
4-methyl-6,8-di(propan-2-yl)pyrano[2,3-c]pyridin-2-one
CID 67551515
2,5-dimethyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione;ethane
CID 143332994
4,8-dimethyl-7-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]chromen-2-one
CID 18166340
4,10-dimethylpyrano[2,3-f]chromene-2,8-dione
CID 1234115
2,5-dimethyl-[1,3]oxazolo[5,4-d]pyrimidine;ethane
CID 143085645
4-methylpyrano[2,3-f]chromene-2,8-dione
CID 13165001
8-iodo-4-methylchromen-2-one
CID 130067017
2-ethenyl-6-methylpyrano[3,2-g][1,3]benzoxazol-8-one
CID 134912214
4-methyl-8-propan-2-ylchromen-2-one
CID 71446036
7-(dimethylamino)-4-(2-methylphenyl)pyrano[2,3-b]pyridin-2-one
CID 168942137
6-methyl-10-phenyl-4,13-dioxa-2-azatricyclo[7.4.0.03,7]trideca-1(9),2,5,7,10-pentaen-12-one
CID 122537723

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethylpyrano[2,3-d]pyrimidin-7-one?
The IUPAC name of 2,5-dimethylpyrano[2,3-d]pyrimidin-7-one (CID 175809777) is 2,5-dimethylpyrano[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 2,5-dimethylpyrano[2,3-d]pyrimidin-7-one?
The canonical SMILES for 2,5-dimethylpyrano[2,3-d]pyrimidin-7-one is Cc1ncc2c(C)cc(=O)oc2n1.
What is the InChIKey of 2,5-dimethylpyrano[2,3-d]pyrimidin-7-one?
The InChIKey is ZLARMEMGMQLQEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O2/c1-5-3-8(12)13-9-7(5)4-10-6(2)11-9/h3-4H,1-2H3.
What are the key properties of 2,5-dimethylpyrano[2,3-d]pyrimidin-7-one?
2,5-dimethylpyrano[2,3-d]pyrimidin-7-one has a molecular weight of 176.17 g/mol, XLogP of 1.20, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethylpyrano[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 175809777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).