5-chloro-N-[[(2S)-1,4-dimethylpiperazin-2-yl]methyl]-6-methylpyridin-2-amine

C13H21ClN4 — CID 164641343

IUPAC5-chloro-N-[[(2S)-1,4-dimethylpiperazin-2-yl]methyl]-6-methylpyridin-2-amine
SMILESCc1nc(NC[C@H]2CN(C)CCN2C)ccc1Cl
InChIInChI=1S/C13H21ClN4/c1-10-12(14)4-5-13(16-10)15-8-11-9-17(2)6-7-18(11)3/h4-5,11H,6-9H2,1-3H3,(H,15,16)/t11-/m0/s1
InChIKeyKPHCMPLMEAXVIT-NSHDSACASA-N
MW268.79 g/mol
LogP1.70
Rot. Bonds3

About 5-chloro-N-[[(2S)-1,4-dimethylpiperazin-2-yl]methyl]-6-methylpyridin-2-amine

5-chloro-N-[[(2S)-1,4-dimethylpiperazin-2-yl]methyl]-6-methylpyridin-2-amine (PubChem CID 164641343) has the molecular formula C13H21ClN4 and a molecular weight of 268.79 g/mol. Its IUPAC name is 5-chloro-N-[[(2S)-1,4-dimethylpiperazin-2-yl]methyl]-6-methylpyridin-2-amine.

Molecular Properties

Compound Name5-chloro-N-[[(2S)-1,4-dimethylpiperazin-2-yl]methyl]-6-methylpyridin-2-amine
PubChem CID164641343
Molecular FormulaC13H21ClN4
Molecular Weight268.79 g/mol
Exact Mass268.15
IUPAC Name5-chloro-N-[[(2S)-1,4-dimethylpiperazin-2-yl]methyl]-6-methylpyridin-2-amine
SMILESCc1nc(NC[C@H]2CN(C)CCN2C)ccc1Cl
InChIInChI=1S/C13H21ClN4/c1-10-12(14)4-5-13(16-10)15-8-11-9-17(2)6-7-18(11)3/h4-5,11H,6-9H2,1-3H3,(H,15,16)/t11-/m0/s1
InChIKeyKPHCMPLMEAXVIT-NSHDSACASA-N
XLogP1.70
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[[(2S)-1,4-dimethylpiperazin-2-yl]methyl]-6-methylpyridin-2-amine?
The IUPAC name of 5-chloro-N-[[(2S)-1,4-dimethylpiperazin-2-yl]methyl]-6-methylpyridin-2-amine (CID 164641343) is 5-chloro-N-[[(2S)-1,4-dimethylpiperazin-2-yl]methyl]-6-methylpyridin-2-amine.
What is the SMILES notation for 5-chloro-N-[[(2S)-1,4-dimethylpiperazin-2-yl]methyl]-6-methylpyridin-2-amine?
The canonical SMILES for 5-chloro-N-[[(2S)-1,4-dimethylpiperazin-2-yl]methyl]-6-methylpyridin-2-amine is Cc1nc(NC[C@H]2CN(C)CCN2C)ccc1Cl.
What is the InChIKey of 5-chloro-N-[[(2S)-1,4-dimethylpiperazin-2-yl]methyl]-6-methylpyridin-2-amine?
The InChIKey is KPHCMPLMEAXVIT-NSHDSACASA-N. The full InChI is InChI=1S/C13H21ClN4/c1-10-12(14)4-5-13(16-10)15-8-11-9-17(2)6-7-18(11)3/h4-5,11H,6-9H2,1-3H3,(H,15,16)/t11-/m0/s1.
What are the key properties of 5-chloro-N-[[(2S)-1,4-dimethylpiperazin-2-yl]methyl]-6-methylpyridin-2-amine?
5-chloro-N-[[(2S)-1,4-dimethylpiperazin-2-yl]methyl]-6-methylpyridin-2-amine has a molecular weight of 268.79 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[[(2S)-1,4-dimethylpiperazin-2-yl]methyl]-6-methylpyridin-2-amine is sourced from PubChem (CID 164641343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).