6-(1-ethylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

C14H22N4 — CID 121183308

IUPAC6-(1-ethylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCCN1CCC(N2CCc3ncncc3C2)CC1
InChIInChI=1S/C14H22N4/c1-2-17-6-3-13(4-7-17)18-8-5-14-12(10-18)9-15-11-16-14/h9,11,13H,2-8,10H2,1H3
InChIKeyNJRKZWBVNZEHJH-UHFFFAOYSA-N
MW246.36 g/mol
LogP1.32
Rot. Bonds2

About 6-(1-ethylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

6-(1-ethylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 121183308) has the molecular formula C14H22N4 and a molecular weight of 246.36 g/mol. Its IUPAC name is 6-(1-ethylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name6-(1-ethylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID121183308
Molecular FormulaC14H22N4
Molecular Weight246.36 g/mol
Exact Mass246.18
IUPAC Name6-(1-ethylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCCN1CCC(N2CCc3ncncc3C2)CC1
InChIInChI=1S/C14H22N4/c1-2-17-6-3-13(4-7-17)18-8-5-14-12(10-18)9-15-11-16-14/h9,11,13H,2-8,10H2,1H3
InChIKeyNJRKZWBVNZEHJH-UHFFFAOYSA-N
XLogP1.32
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(1-ethylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 6-(1-ethylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 121183308) is 6-(1-ethylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 6-(1-ethylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 6-(1-ethylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is CCN1CCC(N2CCc3ncncc3C2)CC1.
What is the InChIKey of 6-(1-ethylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is NJRKZWBVNZEHJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4/c1-2-17-6-3-13(4-7-17)18-8-5-14-12(10-18)9-15-11-16-14/h9,11,13H,2-8,10H2,1H3.
What are the key properties of 6-(1-ethylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
6-(1-ethylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 246.36 g/mol, XLogP of 1.32, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-ethylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 121183308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).