2-chloro-4-(3-methoxypropoxy)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine

C11H16ClN3O2 — CID 89400112

IUPAC2-chloro-4-(3-methoxypropoxy)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
SMILESCOCCCOc1nc(Cl)nc2c1CNCC2
InChIInChI=1S/C11H16ClN3O2/c1-16-5-2-6-17-10-8-7-13-4-3-9(8)14-11(12)15-10/h13H,2-7H2,1H3
InChIKeyDERZRMDNYFEOHE-UHFFFAOYSA-N
MW257.72 g/mol
LogP1.19
Rot. Bonds5

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

2-chloro-4-(3-methoxypropoxy)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine (PubChem CID 89400112) has the molecular formula C11H16ClN3O2 and a molecular weight of 257.72 g/mol. Its IUPAC name is 2-chloro-4-(3-methoxypropoxy)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name2-chloro-4-(3-methoxypropoxy)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
PubChem CID89400112
Molecular FormulaC11H16ClN3O2
Molecular Weight257.72 g/mol
Exact Mass257.09
IUPAC Name2-chloro-4-(3-methoxypropoxy)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
SMILESCOCCCOc1nc(Cl)nc2c1CNCC2
InChIInChI=1S/C11H16ClN3O2/c1-16-5-2-6-17-10-8-7-13-4-3-9(8)14-11(12)15-10/h13H,2-7H2,1H3
InChIKeyDERZRMDNYFEOHE-UHFFFAOYSA-N
XLogP1.19
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(3-methoxypropoxy)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The IUPAC name of 2-chloro-4-(3-methoxypropoxy)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine (CID 89400112) is 2-chloro-4-(3-methoxypropoxy)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine.
What is the SMILES notation for 2-chloro-4-(3-methoxypropoxy)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The canonical SMILES for 2-chloro-4-(3-methoxypropoxy)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine is COCCCOc1nc(Cl)nc2c1CNCC2.
What is the InChIKey of 2-chloro-4-(3-methoxypropoxy)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The InChIKey is DERZRMDNYFEOHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O2/c1-16-5-2-6-17-10-8-7-13-4-3-9(8)14-11(12)15-10/h13H,2-7H2,1H3.
What are the key properties of 2-chloro-4-(3-methoxypropoxy)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
2-chloro-4-(3-methoxypropoxy)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine has a molecular weight of 257.72 g/mol, XLogP of 1.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(3-methoxypropoxy)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine is sourced from PubChem (CID 89400112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).