2-(4-propylpiperazin-1-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine

C14H23N5 — CID 23602249

IUPAC2-(4-propylpiperazin-1-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
SMILESCCCN1CCN(c2ncc3c(n2)CCNC3)CC1
InChIInChI=1S/C14H23N5/c1-2-5-18-6-8-19(9-7-18)14-16-11-12-10-15-4-3-13(12)17-14/h11,15H,2-10H2,1H3
InChIKeyMWSXLHDEATVLQS-UHFFFAOYSA-N
MW261.37 g/mol
LogP0.65
Rot. Bonds3

About 2-(4-propylpiperazin-1-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine

2-(4-propylpiperazin-1-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine (PubChem CID 23602249) has the molecular formula C14H23N5 and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-(4-propylpiperazin-1-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name2-(4-propylpiperazin-1-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
PubChem CID23602249
Molecular FormulaC14H23N5
Molecular Weight261.37 g/mol
Exact Mass261.20
IUPAC Name2-(4-propylpiperazin-1-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
SMILESCCCN1CCN(c2ncc3c(n2)CCNC3)CC1
InChIInChI=1S/C14H23N5/c1-2-5-18-6-8-19(9-7-18)14-16-11-12-10-15-4-3-13(12)17-14/h11,15H,2-10H2,1H3
InChIKeyMWSXLHDEATVLQS-UHFFFAOYSA-N
XLogP0.65
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-propylpiperazin-1-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The IUPAC name of 2-(4-propylpiperazin-1-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine (CID 23602249) is 2-(4-propylpiperazin-1-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine.
What is the SMILES notation for 2-(4-propylpiperazin-1-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The canonical SMILES for 2-(4-propylpiperazin-1-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine is CCCN1CCN(c2ncc3c(n2)CCNC3)CC1.
What is the InChIKey of 2-(4-propylpiperazin-1-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The InChIKey is MWSXLHDEATVLQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5/c1-2-5-18-6-8-19(9-7-18)14-16-11-12-10-15-4-3-13(12)17-14/h11,15H,2-10H2,1H3.
What are the key properties of 2-(4-propylpiperazin-1-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
2-(4-propylpiperazin-1-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine has a molecular weight of 261.37 g/mol, XLogP of 0.65, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propylpiperazin-1-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine is sourced from PubChem (CID 23602249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).