5-chloro-2-[(5S)-6-methyl-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyridin-4-amine

C11H15ClN4 — CID 155630776

IUPAC5-chloro-2-[(5S)-6-methyl-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyridin-4-amine
SMILESCN1C2C[C@H]1CN(c1cc(N)c(Cl)cn1)C2
InChIInChI=1S/C11H15ClN4/c1-15-7-2-8(15)6-16(5-7)11-3-10(13)9(12)4-14-11/h3-4,7-8H,2,5-6H2,1H3,(H2,13,14)/t7-,8?/m0/s1
InChIKeyXJUKSRKUACTAFE-JAMMHHFISA-N
MW238.72 g/mol
LogP1.21
Rot. Bonds1

About 5-chloro-2-[(5S)-6-methyl-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyridin-4-amine

5-chloro-2-[(5S)-6-methyl-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyridin-4-amine (PubChem CID 155630776) has the molecular formula C11H15ClN4 and a molecular weight of 238.72 g/mol. Its IUPAC name is 5-chloro-2-[(5S)-6-methyl-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyridin-4-amine.

Molecular Properties

Compound Name5-chloro-2-[(5S)-6-methyl-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyridin-4-amine
PubChem CID155630776
Molecular FormulaC11H15ClN4
Molecular Weight238.72 g/mol
Exact Mass238.10
IUPAC Name5-chloro-2-[(5S)-6-methyl-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyridin-4-amine
SMILESCN1C2C[C@H]1CN(c1cc(N)c(Cl)cn1)C2
InChIInChI=1S/C11H15ClN4/c1-15-7-2-8(15)6-16(5-7)11-3-10(13)9(12)4-14-11/h3-4,7-8H,2,5-6H2,1H3,(H2,13,14)/t7-,8?/m0/s1
InChIKeyXJUKSRKUACTAFE-JAMMHHFISA-N
XLogP1.21
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.72
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[(5S)-6-methyl-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyridin-4-amine?
The IUPAC name of 5-chloro-2-[(5S)-6-methyl-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyridin-4-amine (CID 155630776) is 5-chloro-2-[(5S)-6-methyl-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyridin-4-amine.
What is the SMILES notation for 5-chloro-2-[(5S)-6-methyl-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyridin-4-amine?
The canonical SMILES for 5-chloro-2-[(5S)-6-methyl-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyridin-4-amine is CN1C2C[C@H]1CN(c1cc(N)c(Cl)cn1)C2.
What is the InChIKey of 5-chloro-2-[(5S)-6-methyl-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyridin-4-amine?
The InChIKey is XJUKSRKUACTAFE-JAMMHHFISA-N. The full InChI is InChI=1S/C11H15ClN4/c1-15-7-2-8(15)6-16(5-7)11-3-10(13)9(12)4-14-11/h3-4,7-8H,2,5-6H2,1H3,(H2,13,14)/t7-,8?/m0/s1.
What are the key properties of 5-chloro-2-[(5S)-6-methyl-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyridin-4-amine?
5-chloro-2-[(5S)-6-methyl-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyridin-4-amine has a molecular weight of 238.72 g/mol, XLogP of 1.21, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[(5S)-6-methyl-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyridin-4-amine is sourced from PubChem (CID 155630776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).