2-ethylpyrido[3,2-d]pyrimidine

C9H9N3 — CID 118375841

IUPAC2-ethylpyrido[3,2-d]pyrimidine
SMILESCCc1ncc2ncccc2n1
InChIInChI=1S/C9H9N3/c1-2-9-11-6-8-7(12-9)4-3-5-10-8/h3-6H,2H2,1H3
InChIKeyMPWGNLUCDZCHNS-UHFFFAOYSA-N
MW159.19 g/mol
LogP1.59
Rot. Bonds1

About 2-ethylpyrido[3,2-d]pyrimidine

2-ethylpyrido[3,2-d]pyrimidine (PubChem CID 118375841) has the molecular formula C9H9N3 and a molecular weight of 159.19 g/mol. Its IUPAC name is 2-ethylpyrido[3,2-d]pyrimidine.

Molecular Properties

Compound Name2-ethylpyrido[3,2-d]pyrimidine
PubChem CID118375841
Molecular FormulaC9H9N3
Molecular Weight159.19 g/mol
Exact Mass159.08
IUPAC Name2-ethylpyrido[3,2-d]pyrimidine
SMILESCCc1ncc2ncccc2n1
InChIInChI=1S/C9H9N3/c1-2-9-11-6-8-7(12-9)4-3-5-10-8/h3-6H,2H2,1H3
InChIKeyMPWGNLUCDZCHNS-UHFFFAOYSA-N
XLogP1.59
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethylquinazoline;hydrochloride
CID 153374561
2-ethylpteridine
CID 20678679
ethane;1,5-naphthyridine;propane
CID 142434189
propane;pyrido[3,2-d]pyrimidine
CID 144881600
7-ethyl-3-methyl-2-(2-pyrido[3,2-d]pyrimidin-2-ylethyl)imidazo[2,1-a]isoquinoline
CID 123820555
3-ethylquinoline;quinoline
CID 174966721
ethane;ethylbenzene;quinoline
CID 143401699
N-(4-chlorophenyl)-N-ethoxypyrido[3,2-d]pyrimidin-2-amine
CID 90785976
7-chloro-2-ethylquinazoline
CID 167510442
iridium(3+);1,5-naphthyridine
CID 175728214
propan-1-ol;quinoline
CID 160910097
ethane;5-ethylquinoline
CID 143401043

Frequently Asked Questions

What is the IUPAC name of 2-ethylpyrido[3,2-d]pyrimidine?
The IUPAC name of 2-ethylpyrido[3,2-d]pyrimidine (CID 118375841) is 2-ethylpyrido[3,2-d]pyrimidine.
What is the SMILES notation for 2-ethylpyrido[3,2-d]pyrimidine?
The canonical SMILES for 2-ethylpyrido[3,2-d]pyrimidine is CCc1ncc2ncccc2n1.
What is the InChIKey of 2-ethylpyrido[3,2-d]pyrimidine?
The InChIKey is MPWGNLUCDZCHNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3/c1-2-9-11-6-8-7(12-9)4-3-5-10-8/h3-6H,2H2,1H3.
What are the key properties of 2-ethylpyrido[3,2-d]pyrimidine?
2-ethylpyrido[3,2-d]pyrimidine has a molecular weight of 159.19 g/mol, XLogP of 1.59, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylpyrido[3,2-d]pyrimidine is sourced from PubChem (CID 118375841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).