N-ethyl-2-pyrazin-2-yl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine

C13H15N5O — CID 106472494

IUPACN-ethyl-2-pyrazin-2-yl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
SMILESCCNc1nc(-c2cnccn2)nc2c1COCC2
InChIInChI=1S/C13H15N5O/c1-2-15-12-9-8-19-6-3-10(9)17-13(18-12)11-7-14-4-5-16-11/h4-5,7H,2-3,6,8H2,1H3,(H,15,17,18)
InChIKeyWFNJKEOUNKSGLL-UHFFFAOYSA-N
MW257.30 g/mol
LogP1.44
Rot. Bonds3

About N-ethyl-2-pyrazin-2-yl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine

N-ethyl-2-pyrazin-2-yl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine (PubChem CID 106472494) has the molecular formula C13H15N5O and a molecular weight of 257.30 g/mol. Its IUPAC name is N-ethyl-2-pyrazin-2-yl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-2-pyrazin-2-yl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
PubChem CID106472494
Molecular FormulaC13H15N5O
Molecular Weight257.30 g/mol
Exact Mass257.13
IUPAC NameN-ethyl-2-pyrazin-2-yl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
SMILESCCNc1nc(-c2cnccn2)nc2c1COCC2
InChIInChI=1S/C13H15N5O/c1-2-15-12-9-8-19-6-3-10(9)17-13(18-12)11-7-14-4-5-16-11/h4-5,7H,2-3,6,8H2,1H3,(H,15,17,18)
InChIKeyWFNJKEOUNKSGLL-UHFFFAOYSA-N
XLogP1.44
TPSA72.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-pyrazin-2-yl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine?
The IUPAC name of N-ethyl-2-pyrazin-2-yl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine (CID 106472494) is N-ethyl-2-pyrazin-2-yl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-ethyl-2-pyrazin-2-yl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine?
The canonical SMILES for N-ethyl-2-pyrazin-2-yl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine is CCNc1nc(-c2cnccn2)nc2c1COCC2.
What is the InChIKey of N-ethyl-2-pyrazin-2-yl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine?
The InChIKey is WFNJKEOUNKSGLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O/c1-2-15-12-9-8-19-6-3-10(9)17-13(18-12)11-7-14-4-5-16-11/h4-5,7H,2-3,6,8H2,1H3,(H,15,17,18).
What are the key properties of N-ethyl-2-pyrazin-2-yl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine?
N-ethyl-2-pyrazin-2-yl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine has a molecular weight of 257.30 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-pyrazin-2-yl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine is sourced from PubChem (CID 106472494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).