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

C15H25N5 — CID 114742523

IUPAC2-(1,4-dimethylpiperazin-2-yl)-4-ethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
SMILESCCc1nc(C2CN(C)CCN2C)nc2c1CCNC2
InChIInChI=1S/C15H25N5/c1-4-12-11-5-6-16-9-13(11)18-15(17-12)14-10-19(2)7-8-20(14)3/h14,16H,4-10H2,1-3H3
InChIKeyHIGNBRNEHYVXQS-UHFFFAOYSA-N
MW275.40 g/mol
LogP0.60
Rot. Bonds2

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

2-(1,4-dimethylpiperazin-2-yl)-4-ethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine (PubChem CID 114742523) has the molecular formula C15H25N5 and a molecular weight of 275.40 g/mol. Its IUPAC name is 2-(1,4-dimethylpiperazin-2-yl)-4-ethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine.

Molecular Properties

Compound Name2-(1,4-dimethylpiperazin-2-yl)-4-ethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
PubChem CID114742523
Molecular FormulaC15H25N5
Molecular Weight275.40 g/mol
Exact Mass275.21
IUPAC Name2-(1,4-dimethylpiperazin-2-yl)-4-ethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
SMILESCCc1nc(C2CN(C)CCN2C)nc2c1CCNC2
InChIInChI=1S/C15H25N5/c1-4-12-11-5-6-16-9-13(11)18-15(17-12)14-10-19(2)7-8-20(14)3/h14,16H,4-10H2,1-3H3
InChIKeyHIGNBRNEHYVXQS-UHFFFAOYSA-N
XLogP0.60
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1,4-dimethylpiperazin-2-yl)-4-ethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine?
The IUPAC name of 2-(1,4-dimethylpiperazin-2-yl)-4-ethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine (CID 114742523) is 2-(1,4-dimethylpiperazin-2-yl)-4-ethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine.
What is the SMILES notation for 2-(1,4-dimethylpiperazin-2-yl)-4-ethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine?
The canonical SMILES for 2-(1,4-dimethylpiperazin-2-yl)-4-ethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine is CCc1nc(C2CN(C)CCN2C)nc2c1CCNC2.
What is the InChIKey of 2-(1,4-dimethylpiperazin-2-yl)-4-ethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine?
The InChIKey is HIGNBRNEHYVXQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5/c1-4-12-11-5-6-16-9-13(11)18-15(17-12)14-10-19(2)7-8-20(14)3/h14,16H,4-10H2,1-3H3.
What are the key properties of 2-(1,4-dimethylpiperazin-2-yl)-4-ethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine?
2-(1,4-dimethylpiperazin-2-yl)-4-ethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine has a molecular weight of 275.40 g/mol, XLogP of 0.60, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-dimethylpiperazin-2-yl)-4-ethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine is sourced from PubChem (CID 114742523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).