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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Related Compounds

3-bromo-6-methoxy-2-propan-2-ylpyridine
CID 70868100
2-ethyl-4-propan-2-ylpteridine
CID 147616756
6-ethyl-2-methoxyquinoline
CID 134204287
3-chloro-2-ethyl-6-methoxypyridine
CID 123175687
2-butan-2-yl-5-methoxy-[1,3]thiazolo[5,4-b]pyridine
CID 143883411
6-methoxy-3-nitro-2-propan-2-ylpyridine
CID 146296357
2-ethyl-6-methoxy-4-methylpteridine
CID 172584427
2-methoxy-7-propan-2-ylquinoline
CID 58290673
2-ethyl-4-propan-2-yl-[1]benzofuro[3,2-d]pyrimidine
CID 170017001
2,7-dimethoxy-8-methyl-1,5-naphthyridine
CID 90365423
2-methoxyquinoline-8-thiol
CID 25146782
2-ethyl-6-methoxy-N-[1-(4-methoxyphenyl)ethyl]pyrimidin-4-amine
CID 82453724

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).