5-chloro-6-[(4-cyclopropylpiperazin-1-yl)methyl]pyridin-2-amine

C13H19ClN4 — CID 55127735

IUPAC5-chloro-6-[(4-cyclopropylpiperazin-1-yl)methyl]pyridin-2-amine
SMILESNc1ccc(Cl)c(CN2CCN(C3CC3)CC2)n1
InChIInChI=1S/C13H19ClN4/c14-11-3-4-13(15)16-12(11)9-17-5-7-18(8-6-17)10-1-2-10/h3-4,10H,1-2,5-9H2,(H2,15,16)
InChIKeyVBRIZZUVYZQHJZ-UHFFFAOYSA-N
MW266.78 g/mol
LogP1.60
Rot. Bonds3

About 5-chloro-6-[(4-cyclopropylpiperazin-1-yl)methyl]pyridin-2-amine

5-chloro-6-[(4-cyclopropylpiperazin-1-yl)methyl]pyridin-2-amine (PubChem CID 55127735) has the molecular formula C13H19ClN4 and a molecular weight of 266.78 g/mol. Its IUPAC name is 5-chloro-6-[(4-cyclopropylpiperazin-1-yl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-6-[(4-cyclopropylpiperazin-1-yl)methyl]pyridin-2-amine
PubChem CID55127735
Molecular FormulaC13H19ClN4
Molecular Weight266.78 g/mol
Exact Mass266.13
IUPAC Name5-chloro-6-[(4-cyclopropylpiperazin-1-yl)methyl]pyridin-2-amine
SMILESNc1ccc(Cl)c(CN2CCN(C3CC3)CC2)n1
InChIInChI=1S/C13H19ClN4/c14-11-3-4-13(15)16-12(11)9-17-5-7-18(8-6-17)10-1-2-10/h3-4,10H,1-2,5-9H2,(H2,15,16)
InChIKeyVBRIZZUVYZQHJZ-UHFFFAOYSA-N
XLogP1.60
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.78
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[(4-cyclopropylpiperazin-1-yl)methyl]pyridin-2-amine?
The IUPAC name of 5-chloro-6-[(4-cyclopropylpiperazin-1-yl)methyl]pyridin-2-amine (CID 55127735) is 5-chloro-6-[(4-cyclopropylpiperazin-1-yl)methyl]pyridin-2-amine.
What is the SMILES notation for 5-chloro-6-[(4-cyclopropylpiperazin-1-yl)methyl]pyridin-2-amine?
The canonical SMILES for 5-chloro-6-[(4-cyclopropylpiperazin-1-yl)methyl]pyridin-2-amine is Nc1ccc(Cl)c(CN2CCN(C3CC3)CC2)n1.
What is the InChIKey of 5-chloro-6-[(4-cyclopropylpiperazin-1-yl)methyl]pyridin-2-amine?
The InChIKey is VBRIZZUVYZQHJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN4/c14-11-3-4-13(15)16-12(11)9-17-5-7-18(8-6-17)10-1-2-10/h3-4,10H,1-2,5-9H2,(H2,15,16).
What are the key properties of 5-chloro-6-[(4-cyclopropylpiperazin-1-yl)methyl]pyridin-2-amine?
5-chloro-6-[(4-cyclopropylpiperazin-1-yl)methyl]pyridin-2-amine has a molecular weight of 266.78 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[(4-cyclopropylpiperazin-1-yl)methyl]pyridin-2-amine is sourced from PubChem (CID 55127735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).