2-chloro-4-ethoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine

C9H12ClN3O — CID 172576401

IUPAC2-chloro-4-ethoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
SMILESCCOc1nc(Cl)nc2c1CNCC2
InChIInChI=1S/C9H12ClN3O/c1-2-14-8-6-5-11-4-3-7(6)12-9(10)13-8/h11H,2-5H2,1H3
InChIKeyOUMJHXBTIFKVRW-UHFFFAOYSA-N
MW213.67 g/mol
LogP1.17
Rot. Bonds2

About 2-chloro-4-ethoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine

2-chloro-4-ethoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine (PubChem CID 172576401) has the molecular formula C9H12ClN3O and a molecular weight of 213.67 g/mol. Its IUPAC name is 2-chloro-4-ethoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name2-chloro-4-ethoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
PubChem CID172576401
Molecular FormulaC9H12ClN3O
Molecular Weight213.67 g/mol
Exact Mass213.07
IUPAC Name2-chloro-4-ethoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
SMILESCCOc1nc(Cl)nc2c1CNCC2
InChIInChI=1S/C9H12ClN3O/c1-2-14-8-6-5-11-4-3-7(6)12-9(10)13-8/h11H,2-5H2,1H3
InChIKeyOUMJHXBTIFKVRW-UHFFFAOYSA-N
XLogP1.17
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.67
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-ethoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The IUPAC name of 2-chloro-4-ethoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine (CID 172576401) is 2-chloro-4-ethoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine.
What is the SMILES notation for 2-chloro-4-ethoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The canonical SMILES for 2-chloro-4-ethoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine is CCOc1nc(Cl)nc2c1CNCC2.
What is the InChIKey of 2-chloro-4-ethoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The InChIKey is OUMJHXBTIFKVRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3O/c1-2-14-8-6-5-11-4-3-7(6)12-9(10)13-8/h11H,2-5H2,1H3.
What are the key properties of 2-chloro-4-ethoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
2-chloro-4-ethoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine has a molecular weight of 213.67 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-ethoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine is sourced from PubChem (CID 172576401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).