6-ethyl-3-methyl-4,5,7,8-tetrahydropyrido[4,3-d]pyrimidine

C10H17N3 — CID 89244021

IUPAC6-ethyl-3-methyl-4,5,7,8-tetrahydropyrido[4,3-d]pyrimidine
SMILESCCN1CCC2=C(CN(C)C=N2)C1
InChIInChI=1S/C10H17N3/c1-3-13-5-4-10-9(7-13)6-12(2)8-11-10/h8H,3-7H2,1-2H3
InChIKeyLVODAPVPMZPKMR-UHFFFAOYSA-N
MW179.27 g/mol
LogP0.94
Rot. Bonds1

About 6-ethyl-3-methyl-4,5,7,8-tetrahydropyrido[4,3-d]pyrimidine

6-ethyl-3-methyl-4,5,7,8-tetrahydropyrido[4,3-d]pyrimidine (PubChem CID 89244021) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is 6-ethyl-3-methyl-4,5,7,8-tetrahydropyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name6-ethyl-3-methyl-4,5,7,8-tetrahydropyrido[4,3-d]pyrimidine
PubChem CID89244021
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name6-ethyl-3-methyl-4,5,7,8-tetrahydropyrido[4,3-d]pyrimidine
SMILESCCN1CCC2=C(CN(C)C=N2)C1
InChIInChI=1S/C10H17N3/c1-3-13-5-4-10-9(7-13)6-12(2)8-11-10/h8H,3-7H2,1-2H3
InChIKeyLVODAPVPMZPKMR-UHFFFAOYSA-N
XLogP0.94
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-3-methyl-4,5,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The IUPAC name of 6-ethyl-3-methyl-4,5,7,8-tetrahydropyrido[4,3-d]pyrimidine (CID 89244021) is 6-ethyl-3-methyl-4,5,7,8-tetrahydropyrido[4,3-d]pyrimidine.
What is the SMILES notation for 6-ethyl-3-methyl-4,5,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The canonical SMILES for 6-ethyl-3-methyl-4,5,7,8-tetrahydropyrido[4,3-d]pyrimidine is CCN1CCC2=C(CN(C)C=N2)C1.
What is the InChIKey of 6-ethyl-3-methyl-4,5,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The InChIKey is LVODAPVPMZPKMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1-3-13-5-4-10-9(7-13)6-12(2)8-11-10/h8H,3-7H2,1-2H3.
What are the key properties of 6-ethyl-3-methyl-4,5,7,8-tetrahydropyrido[4,3-d]pyrimidine?
6-ethyl-3-methyl-4,5,7,8-tetrahydropyrido[4,3-d]pyrimidine has a molecular weight of 179.27 g/mol, XLogP of 0.94, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-3-methyl-4,5,7,8-tetrahydropyrido[4,3-d]pyrimidine is sourced from PubChem (CID 89244021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).