6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-2,4-diamine

C13H17N7 — CID 78910390

IUPAC6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-2,4-diamine
SMILESNc1cc(N2CCN(c3ccccn3)CC2)nc(N)n1
InChIInChI=1S/C13H17N7/c14-10-9-12(18-13(15)17-10)20-7-5-19(6-8-20)11-3-1-2-4-16-11/h1-4,9H,5-8H2,(H4,14,15,17,18)
InChIKeyFXSDADGWGOHWNH-UHFFFAOYSA-N
MW271.33 g/mol
LogP0.36
Rot. Bonds2

About 6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-2,4-diamine

6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-2,4-diamine (PubChem CID 78910390) has the molecular formula C13H17N7 and a molecular weight of 271.33 g/mol. Its IUPAC name is 6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-2,4-diamine
PubChem CID78910390
Molecular FormulaC13H17N7
Molecular Weight271.33 g/mol
Exact Mass271.15
IUPAC Name6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-2,4-diamine
SMILESNc1cc(N2CCN(c3ccccn3)CC2)nc(N)n1
InChIInChI=1S/C13H17N7/c14-10-9-12(18-13(15)17-10)20-7-5-19(6-8-20)11-3-1-2-4-16-11/h1-4,9H,5-8H2,(H4,14,15,17,18)
InChIKeyFXSDADGWGOHWNH-UHFFFAOYSA-N
XLogP0.36
TPSA97.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.33
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-(4-phenylpiperidin-1-yl)pyrimidine-2,4-diamine
CID 11380197
1-fluoro-4-pyridin-2-ylpiperazine
CID 143401045
methanamine;1-methyl-4-pyridin-2-ylpiperazine
CID 145148686
1-chloro-4-pyridin-2-ylpiperazine
CID 130280526
2-(4-pyridin-2-ylpiperazin-1-yl)ethanamine;tetrahydrochloride
CID 23627586
1-(6-methyl-2-pyridinyl)-4-pyridin-2-ylpiperazine
CID 133313241
6-(4-methylsulfonylpiperazin-1-yl)pyrimidine-2,4-diamine
CID 78982341
6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-4,5-diamine
CID 19137203
2,5-dimethyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 80757583
3-methyl-5-(4-pyridin-2-ylpiperazin-1-yl)aniline
CID 115980573
4-methyl-5-(4-pyridin-2-ylpiperazin-1-yl)-1,2-thiazol-3-amine
CID 103362422
2-(4-pyridin-2-ylpiperazin-1-yl)quinazolin-4-amine
CID 4907991

Frequently Asked Questions

What is the IUPAC name of 6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-2,4-diamine?
The IUPAC name of 6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-2,4-diamine (CID 78910390) is 6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-2,4-diamine is Nc1cc(N2CCN(c3ccccn3)CC2)nc(N)n1.
What is the InChIKey of 6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-2,4-diamine?
The InChIKey is FXSDADGWGOHWNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N7/c14-10-9-12(18-13(15)17-10)20-7-5-19(6-8-20)11-3-1-2-4-16-11/h1-4,9H,5-8H2,(H4,14,15,17,18).
What are the key properties of 6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-2,4-diamine?
6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-2,4-diamine has a molecular weight of 271.33 g/mol, XLogP of 0.36, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 78910390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).