2-ethyl-6-methoxy-4-propan-2-ylpyrido[3,2-d]pyrimidine

C13H17N3O — CID 172584731

IUPAC2-ethyl-6-methoxy-4-propan-2-ylpyrido[3,2-d]pyrimidine
SMILESCCc1nc(C(C)C)c2nc(OC)ccc2n1
InChIInChI=1S/C13H17N3O/c1-5-10-14-9-6-7-11(17-4)16-13(9)12(15-10)8(2)3/h6-8H,5H2,1-4H3
InChIKeyDPFZAKIOBZCILS-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.72
Rot. Bonds3

About 2-ethyl-6-methoxy-4-propan-2-ylpyrido[3,2-d]pyrimidine

2-ethyl-6-methoxy-4-propan-2-ylpyrido[3,2-d]pyrimidine (PubChem CID 172584731) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 2-ethyl-6-methoxy-4-propan-2-ylpyrido[3,2-d]pyrimidine.

Molecular Properties

Compound Name2-ethyl-6-methoxy-4-propan-2-ylpyrido[3,2-d]pyrimidine
PubChem CID172584731
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name2-ethyl-6-methoxy-4-propan-2-ylpyrido[3,2-d]pyrimidine
SMILESCCc1nc(C(C)C)c2nc(OC)ccc2n1
InChIInChI=1S/C13H17N3O/c1-5-10-14-9-6-7-11(17-4)16-13(9)12(15-10)8(2)3/h6-8H,5H2,1-4H3
InChIKeyDPFZAKIOBZCILS-UHFFFAOYSA-N
XLogP2.72
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-methoxy-4-propan-2-ylpyrido[3,2-d]pyrimidine?
The IUPAC name of 2-ethyl-6-methoxy-4-propan-2-ylpyrido[3,2-d]pyrimidine (CID 172584731) is 2-ethyl-6-methoxy-4-propan-2-ylpyrido[3,2-d]pyrimidine.
What is the SMILES notation for 2-ethyl-6-methoxy-4-propan-2-ylpyrido[3,2-d]pyrimidine?
The canonical SMILES for 2-ethyl-6-methoxy-4-propan-2-ylpyrido[3,2-d]pyrimidine is CCc1nc(C(C)C)c2nc(OC)ccc2n1.
What is the InChIKey of 2-ethyl-6-methoxy-4-propan-2-ylpyrido[3,2-d]pyrimidine?
The InChIKey is DPFZAKIOBZCILS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-5-10-14-9-6-7-11(17-4)16-13(9)12(15-10)8(2)3/h6-8H,5H2,1-4H3.
What are the key properties of 2-ethyl-6-methoxy-4-propan-2-ylpyrido[3,2-d]pyrimidine?
2-ethyl-6-methoxy-4-propan-2-ylpyrido[3,2-d]pyrimidine has a molecular weight of 231.30 g/mol, XLogP of 2.72, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-methoxy-4-propan-2-ylpyrido[3,2-d]pyrimidine is sourced from PubChem (CID 172584731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).