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

C13H21N5 — CID 81223033

IUPAC4-(3,4-dimethylpiperazin-1-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
SMILESCC1CN(c2ncnc3c2CNCC3)CCN1C
InChIInChI=1S/C13H21N5/c1-10-8-18(6-5-17(10)2)13-11-7-14-4-3-12(11)15-9-16-13/h9-10,14H,3-8H2,1-2H3
InChIKeyLTMVVYKISMXJFP-UHFFFAOYSA-N
MW247.35 g/mol
LogP0.26
Rot. Bonds1

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

4-(3,4-dimethylpiperazin-1-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine (PubChem CID 81223033) has the molecular formula C13H21N5 and a molecular weight of 247.35 g/mol. Its IUPAC name is 4-(3,4-dimethylpiperazin-1-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name4-(3,4-dimethylpiperazin-1-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
PubChem CID81223033
Molecular FormulaC13H21N5
Molecular Weight247.35 g/mol
Exact Mass247.18
IUPAC Name4-(3,4-dimethylpiperazin-1-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
SMILESCC1CN(c2ncnc3c2CNCC3)CCN1C
InChIInChI=1S/C13H21N5/c1-10-8-18(6-5-17(10)2)13-11-7-14-4-3-12(11)15-9-16-13/h9-10,14H,3-8H2,1-2H3
InChIKeyLTMVVYKISMXJFP-UHFFFAOYSA-N
XLogP0.26
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.35
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethylpiperazin-1-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The IUPAC name of 4-(3,4-dimethylpiperazin-1-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine (CID 81223033) is 4-(3,4-dimethylpiperazin-1-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine.
What is the SMILES notation for 4-(3,4-dimethylpiperazin-1-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The canonical SMILES for 4-(3,4-dimethylpiperazin-1-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine is CC1CN(c2ncnc3c2CNCC3)CCN1C.
What is the InChIKey of 4-(3,4-dimethylpiperazin-1-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The InChIKey is LTMVVYKISMXJFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5/c1-10-8-18(6-5-17(10)2)13-11-7-14-4-3-12(11)15-9-16-13/h9-10,14H,3-8H2,1-2H3.
What are the key properties of 4-(3,4-dimethylpiperazin-1-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
4-(3,4-dimethylpiperazin-1-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine has a molecular weight of 247.35 g/mol, XLogP of 0.26, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethylpiperazin-1-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine is sourced from PubChem (CID 81223033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).