2-(3,3-dimethylpiperazin-1-yl)pyrido[3,2-d]pyrimidin-4-amine

C13H18N6 — CID 175939118

IUPAC2-(3,3-dimethylpiperazin-1-yl)pyrido[3,2-d]pyrimidin-4-amine
SMILESCC1(C)CN(c2nc(N)c3ncccc3n2)CCN1
InChIInChI=1S/C13H18N6/c1-13(2)8-19(7-6-16-13)12-17-9-4-3-5-15-10(9)11(14)18-12/h3-5,16H,6-8H2,1-2H3,(H2,14,17,18)
InChIKeyJXLLTJNTYXZVTJ-UHFFFAOYSA-N
MW258.33 g/mol
LogP0.80
Rot. Bonds1

About 2-(3,3-dimethylpiperazin-1-yl)pyrido[3,2-d]pyrimidin-4-amine

2-(3,3-dimethylpiperazin-1-yl)pyrido[3,2-d]pyrimidin-4-amine (PubChem CID 175939118) has the molecular formula C13H18N6 and a molecular weight of 258.33 g/mol. Its IUPAC name is 2-(3,3-dimethylpiperazin-1-yl)pyrido[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(3,3-dimethylpiperazin-1-yl)pyrido[3,2-d]pyrimidin-4-amine
PubChem CID175939118
Molecular FormulaC13H18N6
Molecular Weight258.33 g/mol
Exact Mass258.16
IUPAC Name2-(3,3-dimethylpiperazin-1-yl)pyrido[3,2-d]pyrimidin-4-amine
SMILESCC1(C)CN(c2nc(N)c3ncccc3n2)CCN1
InChIInChI=1S/C13H18N6/c1-13(2)8-19(7-6-16-13)12-17-9-4-3-5-15-10(9)11(14)18-12/h3-5,16H,6-8H2,1-2H3,(H2,14,17,18)
InChIKeyJXLLTJNTYXZVTJ-UHFFFAOYSA-N
XLogP0.80
TPSA79.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.33
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dimethylpiperazin-1-yl)pyrido[3,2-d]pyrimidin-4-amine?
The IUPAC name of 2-(3,3-dimethylpiperazin-1-yl)pyrido[3,2-d]pyrimidin-4-amine (CID 175939118) is 2-(3,3-dimethylpiperazin-1-yl)pyrido[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for 2-(3,3-dimethylpiperazin-1-yl)pyrido[3,2-d]pyrimidin-4-amine?
The canonical SMILES for 2-(3,3-dimethylpiperazin-1-yl)pyrido[3,2-d]pyrimidin-4-amine is CC1(C)CN(c2nc(N)c3ncccc3n2)CCN1.
What is the InChIKey of 2-(3,3-dimethylpiperazin-1-yl)pyrido[3,2-d]pyrimidin-4-amine?
The InChIKey is JXLLTJNTYXZVTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6/c1-13(2)8-19(7-6-16-13)12-17-9-4-3-5-15-10(9)11(14)18-12/h3-5,16H,6-8H2,1-2H3,(H2,14,17,18).
What are the key properties of 2-(3,3-dimethylpiperazin-1-yl)pyrido[3,2-d]pyrimidin-4-amine?
2-(3,3-dimethylpiperazin-1-yl)pyrido[3,2-d]pyrimidin-4-amine has a molecular weight of 258.33 g/mol, XLogP of 0.80, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethylpiperazin-1-yl)pyrido[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 175939118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).