2-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)ethanamine

C9H13N3O — CID 83914930

IUPAC2-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)ethanamine
SMILESNCCc1ncc2c(n1)CCOC2
InChIInChI=1S/C9H13N3O/c10-3-1-9-11-5-7-6-13-4-2-8(7)12-9/h5H,1-4,6,10H2
InChIKeyDVTRLTDYWJGRPS-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.05
Rot. Bonds2

About 2-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)ethanamine

2-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)ethanamine (PubChem CID 83914930) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is 2-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)ethanamine.

Molecular Properties

Compound Name2-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)ethanamine
PubChem CID83914930
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name2-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)ethanamine
SMILESNCCc1ncc2c(n1)CCOC2
InChIInChI=1S/C9H13N3O/c10-3-1-9-11-5-7-6-13-4-2-8(7)12-9/h5H,1-4,6,10H2
InChIKeyDVTRLTDYWJGRPS-UHFFFAOYSA-N
XLogP0.05
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)ethanamine?
The IUPAC name of 2-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)ethanamine (CID 83914930) is 2-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)ethanamine.
What is the SMILES notation for 2-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)ethanamine?
The canonical SMILES for 2-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)ethanamine is NCCc1ncc2c(n1)CCOC2.
What is the InChIKey of 2-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)ethanamine?
The InChIKey is DVTRLTDYWJGRPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c10-3-1-9-11-5-7-6-13-4-2-8(7)12-9/h5H,1-4,6,10H2.
What are the key properties of 2-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)ethanamine?
2-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)ethanamine has a molecular weight of 179.22 g/mol, XLogP of 0.05, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)ethanamine is sourced from PubChem (CID 83914930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).