5-chloro-6-[(2,4-dimethyl-1,4-diazepan-1-yl)methyl]pyridin-2-amine

C13H21ClN4 — CID 114087556

IUPAC5-chloro-6-[(2,4-dimethyl-1,4-diazepan-1-yl)methyl]pyridin-2-amine
SMILESCC1CN(C)CCCN1Cc1nc(N)ccc1Cl
InChIInChI=1S/C13H21ClN4/c1-10-8-17(2)6-3-7-18(10)9-12-11(14)4-5-13(15)16-12/h4-5,10H,3,6-9H2,1-2H3,(H2,15,16)
InChIKeyYRMJRYOZSZTNFR-UHFFFAOYSA-N
MW268.79 g/mol
LogP1.84
Rot. Bonds2

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

5-chloro-6-[(2,4-dimethyl-1,4-diazepan-1-yl)methyl]pyridin-2-amine (PubChem CID 114087556) has the molecular formula C13H21ClN4 and a molecular weight of 268.79 g/mol. Its IUPAC name is 5-chloro-6-[(2,4-dimethyl-1,4-diazepan-1-yl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-6-[(2,4-dimethyl-1,4-diazepan-1-yl)methyl]pyridin-2-amine
PubChem CID114087556
Molecular FormulaC13H21ClN4
Molecular Weight268.79 g/mol
Exact Mass268.15
IUPAC Name5-chloro-6-[(2,4-dimethyl-1,4-diazepan-1-yl)methyl]pyridin-2-amine
SMILESCC1CN(C)CCCN1Cc1nc(N)ccc1Cl
InChIInChI=1S/C13H21ClN4/c1-10-8-17(2)6-3-7-18(10)9-12-11(14)4-5-13(15)16-12/h4-5,10H,3,6-9H2,1-2H3,(H2,15,16)
InChIKeyYRMJRYOZSZTNFR-UHFFFAOYSA-N
XLogP1.84
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-6-[(2,4-dimethylpiperidin-1-yl)methyl]pyridin-2-amine
CID 62892563
5-chloro-6-[(3-methylmorpholin-4-yl)methyl]pyridin-2-amine
CID 62892343
3-chloro-2-[(2,4-dimethyl-1,4-diazepan-1-yl)methyl]aniline
CID 114086305
[1-[(6-amino-3-chloro-2-pyridinyl)methyl]pyrrolidin-2-yl]methanol
CID 62890471
[3-chloro-6-(2,4-dimethyl-1,4-diazepan-1-yl)-2-pyridinyl]methanamine
CID 114087664
6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)-5-chloropyridin-2-amine
CID 82753252
3,6-dichloro-2-[(2,3-dimethylpiperidin-1-yl)methyl]pyridine
CID 62891492
[2-[(2,4-dimethyl-1,4-diazepan-1-yl)methyl]-3-pyridinyl]methanamine
CID 114199136
5-chloro-6-[(2-methyl-1,4-oxazepan-4-yl)methyl]pyridin-2-amine
CID 55152585
5-[[(2S)-2,4-dimethylpiperazin-1-yl]methyl]pyridin-2-amine
CID 134555297
5-chloro-6-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]pyridin-2-amine
CID 55174807
5-chloro-6-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]pyridin-2-amine
CID 62892888

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[(2,4-dimethyl-1,4-diazepan-1-yl)methyl]pyridin-2-amine?
The IUPAC name of 5-chloro-6-[(2,4-dimethyl-1,4-diazepan-1-yl)methyl]pyridin-2-amine (CID 114087556) is 5-chloro-6-[(2,4-dimethyl-1,4-diazepan-1-yl)methyl]pyridin-2-amine.
What is the SMILES notation for 5-chloro-6-[(2,4-dimethyl-1,4-diazepan-1-yl)methyl]pyridin-2-amine?
The canonical SMILES for 5-chloro-6-[(2,4-dimethyl-1,4-diazepan-1-yl)methyl]pyridin-2-amine is CC1CN(C)CCCN1Cc1nc(N)ccc1Cl.
What is the InChIKey of 5-chloro-6-[(2,4-dimethyl-1,4-diazepan-1-yl)methyl]pyridin-2-amine?
The InChIKey is YRMJRYOZSZTNFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN4/c1-10-8-17(2)6-3-7-18(10)9-12-11(14)4-5-13(15)16-12/h4-5,10H,3,6-9H2,1-2H3,(H2,15,16).
What are the key properties of 5-chloro-6-[(2,4-dimethyl-1,4-diazepan-1-yl)methyl]pyridin-2-amine?
5-chloro-6-[(2,4-dimethyl-1,4-diazepan-1-yl)methyl]pyridin-2-amine has a molecular weight of 268.79 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[(2,4-dimethyl-1,4-diazepan-1-yl)methyl]pyridin-2-amine is sourced from PubChem (CID 114087556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).