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

C16H25N3 — CID 114742191

IUPAC2-(4-ethylcyclohexyl)-4-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
SMILESCCC1CCC(c2nc(C)c3c(n2)CNCC3)CC1
InChIInChI=1S/C16H25N3/c1-3-12-4-6-13(7-5-12)16-18-11(2)14-8-9-17-10-15(14)19-16/h12-13,17H,3-10H2,1-2H3
InChIKeyVWVROUIUJKKZQG-UHFFFAOYSA-N
MW259.40 g/mol
LogP3.11
Rot. Bonds2

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

2-(4-ethylcyclohexyl)-4-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine (PubChem CID 114742191) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is 2-(4-ethylcyclohexyl)-4-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine.

Molecular Properties

Compound Name2-(4-ethylcyclohexyl)-4-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
PubChem CID114742191
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC Name2-(4-ethylcyclohexyl)-4-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
SMILESCCC1CCC(c2nc(C)c3c(n2)CNCC3)CC1
InChIInChI=1S/C16H25N3/c1-3-12-4-6-13(7-5-12)16-18-11(2)14-8-9-17-10-15(14)19-16/h12-13,17H,3-10H2,1-2H3
InChIKeyVWVROUIUJKKZQG-UHFFFAOYSA-N
XLogP3.11
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylcyclohexyl)-4-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine?
The IUPAC name of 2-(4-ethylcyclohexyl)-4-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine (CID 114742191) is 2-(4-ethylcyclohexyl)-4-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine.
What is the SMILES notation for 2-(4-ethylcyclohexyl)-4-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine?
The canonical SMILES for 2-(4-ethylcyclohexyl)-4-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine is CCC1CCC(c2nc(C)c3c(n2)CNCC3)CC1.
What is the InChIKey of 2-(4-ethylcyclohexyl)-4-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine?
The InChIKey is VWVROUIUJKKZQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3/c1-3-12-4-6-13(7-5-12)16-18-11(2)14-8-9-17-10-15(14)19-16/h12-13,17H,3-10H2,1-2H3.
What are the key properties of 2-(4-ethylcyclohexyl)-4-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine?
2-(4-ethylcyclohexyl)-4-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine has a molecular weight of 259.40 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylcyclohexyl)-4-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine is sourced from PubChem (CID 114742191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).