5-chloro-2-(3,3,5,5-tetramethylpiperazin-1-yl)pyridin-4-amine

C13H21ClN4 — CID 139405515

IUPAC5-chloro-2-(3,3,5,5-tetramethylpiperazin-1-yl)pyridin-4-amine
SMILESCC1(C)CN(c2cc(N)c(Cl)cn2)CC(C)(C)N1
InChIInChI=1S/C13H21ClN4/c1-12(2)7-18(8-13(3,4)17-12)11-5-10(15)9(14)6-16-11/h5-6,17H,7-8H2,1-4H3,(H2,15,16)
InChIKeyUQSLYYZYQHFXMU-UHFFFAOYSA-N
MW268.79 g/mol
LogP2.28
Rot. Bonds1

About 5-chloro-2-(3,3,5,5-tetramethylpiperazin-1-yl)pyridin-4-amine

5-chloro-2-(3,3,5,5-tetramethylpiperazin-1-yl)pyridin-4-amine (PubChem CID 139405515) has the molecular formula C13H21ClN4 and a molecular weight of 268.79 g/mol. Its IUPAC name is 5-chloro-2-(3,3,5,5-tetramethylpiperazin-1-yl)pyridin-4-amine.

Molecular Properties

Compound Name5-chloro-2-(3,3,5,5-tetramethylpiperazin-1-yl)pyridin-4-amine
PubChem CID139405515
Molecular FormulaC13H21ClN4
Molecular Weight268.79 g/mol
Exact Mass268.15
IUPAC Name5-chloro-2-(3,3,5,5-tetramethylpiperazin-1-yl)pyridin-4-amine
SMILESCC1(C)CN(c2cc(N)c(Cl)cn2)CC(C)(C)N1
InChIInChI=1S/C13H21ClN4/c1-12(2)7-18(8-13(3,4)17-12)11-5-10(15)9(14)6-16-11/h5-6,17H,7-8H2,1-4H3,(H2,15,16)
InChIKeyUQSLYYZYQHFXMU-UHFFFAOYSA-N
XLogP2.28
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(3,3,5,5-tetramethylpiperazin-1-yl)pyridin-4-amine?
The IUPAC name of 5-chloro-2-(3,3,5,5-tetramethylpiperazin-1-yl)pyridin-4-amine (CID 139405515) is 5-chloro-2-(3,3,5,5-tetramethylpiperazin-1-yl)pyridin-4-amine.
What is the SMILES notation for 5-chloro-2-(3,3,5,5-tetramethylpiperazin-1-yl)pyridin-4-amine?
The canonical SMILES for 5-chloro-2-(3,3,5,5-tetramethylpiperazin-1-yl)pyridin-4-amine is CC1(C)CN(c2cc(N)c(Cl)cn2)CC(C)(C)N1.
What is the InChIKey of 5-chloro-2-(3,3,5,5-tetramethylpiperazin-1-yl)pyridin-4-amine?
The InChIKey is UQSLYYZYQHFXMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN4/c1-12(2)7-18(8-13(3,4)17-12)11-5-10(15)9(14)6-16-11/h5-6,17H,7-8H2,1-4H3,(H2,15,16).
What are the key properties of 5-chloro-2-(3,3,5,5-tetramethylpiperazin-1-yl)pyridin-4-amine?
5-chloro-2-(3,3,5,5-tetramethylpiperazin-1-yl)pyridin-4-amine has a molecular weight of 268.79 g/mol, XLogP of 2.28, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(3,3,5,5-tetramethylpiperazin-1-yl)pyridin-4-amine is sourced from PubChem (CID 139405515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).