6,7-dihydro-5H-pyrano[2,3-d]pyrimidine

C7H8N2O — CID 54464103

IUPAC6,7-dihydro-5H-pyrano[2,3-d]pyrimidine
SMILESc1ncc2c(n1)OCCC2
InChIInChI=1S/C7H8N2O/c1-2-6-4-8-5-9-7(6)10-3-1/h4-5H,1-3H2
InChIKeyXDQQMFWLPCXXNV-UHFFFAOYSA-N
MW136.15 g/mol
LogP0.80
Rot. Bonds

About 6,7-dihydro-5H-pyrano[2,3-d]pyrimidine

6,7-dihydro-5H-pyrano[2,3-d]pyrimidine (PubChem CID 54464103) has the molecular formula C7H8N2O and a molecular weight of 136.15 g/mol. Its IUPAC name is 6,7-dihydro-5H-pyrano[2,3-d]pyrimidine.

Molecular Properties

Compound Name6,7-dihydro-5H-pyrano[2,3-d]pyrimidine
PubChem CID54464103
Molecular FormulaC7H8N2O
Molecular Weight136.15 g/mol
Exact Mass136.06
IUPAC Name6,7-dihydro-5H-pyrano[2,3-d]pyrimidine
SMILESc1ncc2c(n1)OCCC2
InChIInChI=1S/C7H8N2O/c1-2-6-4-8-5-9-7(6)10-3-1/h4-5H,1-3H2
InChIKeyXDQQMFWLPCXXNV-UHFFFAOYSA-N
XLogP0.80
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.15
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5H-Pyrano[2,3-d]pyrimidine
CID 53439102
Pyrano[2,3-d:6,5-d']dipyrimidine
CID 18325730
5-(2,3-Difluoropropyl)-4-methoxypyrimidin-2-amine
CID 164908096
5-(2,2-Difluoropropyl)-4-methoxypyrimidin-2-amine
CID 164908140
4-Methoxy-5-(2,3,3-trifluoropropyl)pyrimidin-2-amine
CID 164908171
4-Methoxy-5-(3,3,3-trifluoropropyl)pyrimidin-2-amine
CID 164908335
5-(3,3-Difluoropropyl)-4-methoxypyrimidin-2-amine
CID 164908340
5-(3-Fluoropropyl)-4-methoxypyrimidin-2-amine
CID 164908431
2,4-Dimethoxy-5-(3,3,3-trifluoropropyl)pyrimidine
CID 165402885
3-(2,4-Dimethoxypyrimidin-5-yl)propan-1-ol
CID 124706387
2,4-Diethoxy-5-ethylpyrimidine
CID 10035583
2,4-Diamino-5-[(2,4-dimethoxy-5-pyrimidinyl)methyl]pyrimidine
CID 621636

Frequently Asked Questions

What is the IUPAC name of 6,7-dihydro-5H-pyrano[2,3-d]pyrimidine?
The IUPAC name of 6,7-dihydro-5H-pyrano[2,3-d]pyrimidine (CID 54464103) is 6,7-dihydro-5H-pyrano[2,3-d]pyrimidine.
What is the SMILES notation for 6,7-dihydro-5H-pyrano[2,3-d]pyrimidine?
The canonical SMILES for 6,7-dihydro-5H-pyrano[2,3-d]pyrimidine is c1ncc2c(n1)OCCC2.
What is the InChIKey of 6,7-dihydro-5H-pyrano[2,3-d]pyrimidine?
The InChIKey is XDQQMFWLPCXXNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O/c1-2-6-4-8-5-9-7(6)10-3-1/h4-5H,1-3H2.
What are the key properties of 6,7-dihydro-5H-pyrano[2,3-d]pyrimidine?
6,7-dihydro-5H-pyrano[2,3-d]pyrimidine has a molecular weight of 136.15 g/mol, XLogP of 0.80, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dihydro-5H-pyrano[2,3-d]pyrimidine is sourced from PubChem (CID 54464103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).