2-methyl-5,7-dihydro-3H-furo[3,4-d]pyrimidin-4-one

C7H8N2O2 — CID 135819035

IUPAC2-methyl-5,7-dihydro-3H-furo[3,4-d]pyrimidin-4-one
SMILESCc1nc2c(c(=O)[nH]1)COC2
InChIInChI=1S/C7H8N2O2/c1-4-8-6-3-11-2-5(6)7(10)9-4/h2-3H2,1H3,(H,8,9,10)
InChIKeyHQBJWFQKIWWGEM-UHFFFAOYSA-N
MW152.15 g/mol
LogP0.11
Rot. Bonds

About 2-methyl-5,7-dihydro-3H-furo[3,4-d]pyrimidin-4-one

2-methyl-5,7-dihydro-3H-furo[3,4-d]pyrimidin-4-one (PubChem CID 135819035) has the molecular formula C7H8N2O2 and a molecular weight of 152.15 g/mol. Its IUPAC name is 2-methyl-5,7-dihydro-3H-furo[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-methyl-5,7-dihydro-3H-furo[3,4-d]pyrimidin-4-one
PubChem CID135819035
Molecular FormulaC7H8N2O2
Molecular Weight152.15 g/mol
Exact Mass152.06
IUPAC Name2-methyl-5,7-dihydro-3H-furo[3,4-d]pyrimidin-4-one
SMILESCc1nc2c(c(=O)[nH]1)COC2
InChIInChI=1S/C7H8N2O2/c1-4-8-6-3-11-2-5(6)7(10)9-4/h2-3H2,1H3,(H,8,9,10)
InChIKeyHQBJWFQKIWWGEM-UHFFFAOYSA-N
XLogP0.11
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.15
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5,7-dihydro-3H-furo[3,4-d]pyrimidin-4-one?
The IUPAC name of 2-methyl-5,7-dihydro-3H-furo[3,4-d]pyrimidin-4-one (CID 135819035) is 2-methyl-5,7-dihydro-3H-furo[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 2-methyl-5,7-dihydro-3H-furo[3,4-d]pyrimidin-4-one?
The canonical SMILES for 2-methyl-5,7-dihydro-3H-furo[3,4-d]pyrimidin-4-one is Cc1nc2c(c(=O)[nH]1)COC2.
What is the InChIKey of 2-methyl-5,7-dihydro-3H-furo[3,4-d]pyrimidin-4-one?
The InChIKey is HQBJWFQKIWWGEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O2/c1-4-8-6-3-11-2-5(6)7(10)9-4/h2-3H2,1H3,(H,8,9,10).
What are the key properties of 2-methyl-5,7-dihydro-3H-furo[3,4-d]pyrimidin-4-one?
2-methyl-5,7-dihydro-3H-furo[3,4-d]pyrimidin-4-one has a molecular weight of 152.15 g/mol, XLogP of 0.11, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5,7-dihydro-3H-furo[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 135819035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).