2-(1-phenylcyclopropyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one

C16H16N2O2 — CID 136696239

IUPAC2-(1-phenylcyclopropyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
SMILESO=c1[nH]c(C2(c3ccccc3)CC2)nc2c1COCC2
InChIInChI=1S/C16H16N2O2/c19-14-12-10-20-9-6-13(12)17-15(18-14)16(7-8-16)11-4-2-1-3-5-11/h1-5H,6-10H2,(H,17,18,19)
InChIKeyDMHRSQSCCMZIFM-UHFFFAOYSA-N
MW268.32 g/mol
LogP1.92
Rot. Bonds2

About 2-(1-phenylcyclopropyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one

2-(1-phenylcyclopropyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one (PubChem CID 136696239) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is 2-(1-phenylcyclopropyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(1-phenylcyclopropyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
PubChem CID136696239
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name2-(1-phenylcyclopropyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
SMILESO=c1[nH]c(C2(c3ccccc3)CC2)nc2c1COCC2
InChIInChI=1S/C16H16N2O2/c19-14-12-10-20-9-6-13(12)17-15(18-14)16(7-8-16)11-4-2-1-3-5-11/h1-5H,6-10H2,(H,17,18,19)
InChIKeyDMHRSQSCCMZIFM-UHFFFAOYSA-N
XLogP1.92
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-phenylcyclopropyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one?
The IUPAC name of 2-(1-phenylcyclopropyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one (CID 136696239) is 2-(1-phenylcyclopropyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-(1-phenylcyclopropyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one?
The canonical SMILES for 2-(1-phenylcyclopropyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one is O=c1[nH]c(C2(c3ccccc3)CC2)nc2c1COCC2.
What is the InChIKey of 2-(1-phenylcyclopropyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one?
The InChIKey is DMHRSQSCCMZIFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c19-14-12-10-20-9-6-13(12)17-15(18-14)16(7-8-16)11-4-2-1-3-5-11/h1-5H,6-10H2,(H,17,18,19).
What are the key properties of 2-(1-phenylcyclopropyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one?
2-(1-phenylcyclopropyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one has a molecular weight of 268.32 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-phenylcyclopropyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 136696239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).