5-chloro-4-methyl-7,8-dihydropyrido[3,4-d]pyrimidine;propane

C11H16ClN3 — CID 144855581

IUPAC5-chloro-4-methyl-7,8-dihydropyrido[3,4-d]pyrimidine;propane
SMILESCCC.Cc1ncnc2c1C(Cl)=CNC2
InChIInChI=1S/C8H8ClN3.C3H8/c1-5-8-6(9)2-10-3-7(8)12-4-11-5;1-3-2/h2,4,10H,3H2,1H3;3H2,1-2H3
InChIKeyGYSDOQYOOKWXDM-UHFFFAOYSA-N
MW225.72 g/mol
LogP2.84
Rot. Bonds

About 5-chloro-4-methyl-7,8-dihydropyrido[3,4-d]pyrimidine;propane

5-chloro-4-methyl-7,8-dihydropyrido[3,4-d]pyrimidine;propane (PubChem CID 144855581) has the molecular formula C11H16ClN3 and a molecular weight of 225.72 g/mol. Its IUPAC name is 5-chloro-4-methyl-7,8-dihydropyrido[3,4-d]pyrimidine;propane.

Molecular Properties

Compound Name5-chloro-4-methyl-7,8-dihydropyrido[3,4-d]pyrimidine;propane
PubChem CID144855581
Molecular FormulaC11H16ClN3
Molecular Weight225.72 g/mol
Exact Mass225.10
IUPAC Name5-chloro-4-methyl-7,8-dihydropyrido[3,4-d]pyrimidine;propane
SMILESCCC.Cc1ncnc2c1C(Cl)=CNC2
InChIInChI=1S/C8H8ClN3.C3H8/c1-5-8-6(9)2-10-3-7(8)12-4-11-5;1-3-2/h2,4,10H,3H2,1H3;3H2,1-2H3
InChIKeyGYSDOQYOOKWXDM-UHFFFAOYSA-N
XLogP2.84
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-methyl-7,8-dihydropyrido[3,4-d]pyrimidine;propane?
The IUPAC name of 5-chloro-4-methyl-7,8-dihydropyrido[3,4-d]pyrimidine;propane (CID 144855581) is 5-chloro-4-methyl-7,8-dihydropyrido[3,4-d]pyrimidine;propane.
What is the SMILES notation for 5-chloro-4-methyl-7,8-dihydropyrido[3,4-d]pyrimidine;propane?
The canonical SMILES for 5-chloro-4-methyl-7,8-dihydropyrido[3,4-d]pyrimidine;propane is CCC.Cc1ncnc2c1C(Cl)=CNC2.
What is the InChIKey of 5-chloro-4-methyl-7,8-dihydropyrido[3,4-d]pyrimidine;propane?
The InChIKey is GYSDOQYOOKWXDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClN3.C3H8/c1-5-8-6(9)2-10-3-7(8)12-4-11-5;1-3-2/h2,4,10H,3H2,1H3;3H2,1-2H3.
What are the key properties of 5-chloro-4-methyl-7,8-dihydropyrido[3,4-d]pyrimidine;propane?
5-chloro-4-methyl-7,8-dihydropyrido[3,4-d]pyrimidine;propane has a molecular weight of 225.72 g/mol, XLogP of 2.84, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-methyl-7,8-dihydropyrido[3,4-d]pyrimidine;propane is sourced from PubChem (CID 144855581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).