2-propan-2-yl-7,8-dihydro-6H-pyrano[3,2-d]pyrimidine

C10H14N2O — CID 153295615

IUPAC2-propan-2-yl-7,8-dihydro-6H-pyrano[3,2-d]pyrimidine
SMILESCC(C)c1ncc2c(n1)CCCO2
InChIInChI=1S/C10H14N2O/c1-7(2)10-11-6-9-8(12-10)4-3-5-13-9/h6-7H,3-5H2,1-2H3
InChIKeyWKSIGQUVZKGMFZ-UHFFFAOYSA-N
MW178.23 g/mol
LogP1.92
Rot. Bonds1

About 2-propan-2-yl-7,8-dihydro-6H-pyrano[3,2-d]pyrimidine

2-propan-2-yl-7,8-dihydro-6H-pyrano[3,2-d]pyrimidine (PubChem CID 153295615) has the molecular formula C10H14N2O and a molecular weight of 178.23 g/mol. Its IUPAC name is 2-propan-2-yl-7,8-dihydro-6H-pyrano[3,2-d]pyrimidine.

Molecular Properties

Compound Name2-propan-2-yl-7,8-dihydro-6H-pyrano[3,2-d]pyrimidine
PubChem CID153295615
Molecular FormulaC10H14N2O
Molecular Weight178.23 g/mol
Exact Mass178.11
IUPAC Name2-propan-2-yl-7,8-dihydro-6H-pyrano[3,2-d]pyrimidine
SMILESCC(C)c1ncc2c(n1)CCCO2
InChIInChI=1S/C10H14N2O/c1-7(2)10-11-6-9-8(12-10)4-3-5-13-9/h6-7H,3-5H2,1-2H3
InChIKeyWKSIGQUVZKGMFZ-UHFFFAOYSA-N
XLogP1.92
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-7,8-dihydro-6H-pyrano[3,2-d]pyrimidine?
The IUPAC name of 2-propan-2-yl-7,8-dihydro-6H-pyrano[3,2-d]pyrimidine (CID 153295615) is 2-propan-2-yl-7,8-dihydro-6H-pyrano[3,2-d]pyrimidine.
What is the SMILES notation for 2-propan-2-yl-7,8-dihydro-6H-pyrano[3,2-d]pyrimidine?
The canonical SMILES for 2-propan-2-yl-7,8-dihydro-6H-pyrano[3,2-d]pyrimidine is CC(C)c1ncc2c(n1)CCCO2.
What is the InChIKey of 2-propan-2-yl-7,8-dihydro-6H-pyrano[3,2-d]pyrimidine?
The InChIKey is WKSIGQUVZKGMFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c1-7(2)10-11-6-9-8(12-10)4-3-5-13-9/h6-7H,3-5H2,1-2H3.
What are the key properties of 2-propan-2-yl-7,8-dihydro-6H-pyrano[3,2-d]pyrimidine?
2-propan-2-yl-7,8-dihydro-6H-pyrano[3,2-d]pyrimidine has a molecular weight of 178.23 g/mol, XLogP of 1.92, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-7,8-dihydro-6H-pyrano[3,2-d]pyrimidine is sourced from PubChem (CID 153295615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).