6-ethyl-3-propan-2-yl-4,5,7,8-tetrahydropyrido[4,3-d]pyrimidine

C12H21N3 — CID 71066818

IUPAC6-ethyl-3-propan-2-yl-4,5,7,8-tetrahydropyrido[4,3-d]pyrimidine
SMILESCCN1CCC2=C(C1)CN(C(C)C)C=N2
InChIInChI=1S/C12H21N3/c1-4-14-6-5-12-11(7-14)8-15(9-13-12)10(2)3/h9-10H,4-8H2,1-3H3
InChIKeyZDHZOMIASZOJNR-UHFFFAOYSA-N
MW207.32 g/mol
LogP1.72
Rot. Bonds2

About 6-ethyl-3-propan-2-yl-4,5,7,8-tetrahydropyrido[4,3-d]pyrimidine

6-ethyl-3-propan-2-yl-4,5,7,8-tetrahydropyrido[4,3-d]pyrimidine (PubChem CID 71066818) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 6-ethyl-3-propan-2-yl-4,5,7,8-tetrahydropyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name6-ethyl-3-propan-2-yl-4,5,7,8-tetrahydropyrido[4,3-d]pyrimidine
PubChem CID71066818
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name6-ethyl-3-propan-2-yl-4,5,7,8-tetrahydropyrido[4,3-d]pyrimidine
SMILESCCN1CCC2=C(C1)CN(C(C)C)C=N2
InChIInChI=1S/C12H21N3/c1-4-14-6-5-12-11(7-14)8-15(9-13-12)10(2)3/h9-10H,4-8H2,1-3H3
InChIKeyZDHZOMIASZOJNR-UHFFFAOYSA-N
XLogP1.72
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-3-propan-2-yl-4,5,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The IUPAC name of 6-ethyl-3-propan-2-yl-4,5,7,8-tetrahydropyrido[4,3-d]pyrimidine (CID 71066818) is 6-ethyl-3-propan-2-yl-4,5,7,8-tetrahydropyrido[4,3-d]pyrimidine.
What is the SMILES notation for 6-ethyl-3-propan-2-yl-4,5,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The canonical SMILES for 6-ethyl-3-propan-2-yl-4,5,7,8-tetrahydropyrido[4,3-d]pyrimidine is CCN1CCC2=C(C1)CN(C(C)C)C=N2.
What is the InChIKey of 6-ethyl-3-propan-2-yl-4,5,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The InChIKey is ZDHZOMIASZOJNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-4-14-6-5-12-11(7-14)8-15(9-13-12)10(2)3/h9-10H,4-8H2,1-3H3.
What are the key properties of 6-ethyl-3-propan-2-yl-4,5,7,8-tetrahydropyrido[4,3-d]pyrimidine?
6-ethyl-3-propan-2-yl-4,5,7,8-tetrahydropyrido[4,3-d]pyrimidine has a molecular weight of 207.32 g/mol, XLogP of 1.72, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-3-propan-2-yl-4,5,7,8-tetrahydropyrido[4,3-d]pyrimidine is sourced from PubChem (CID 71066818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).