[3-chloro-6-(4-cyclopropylpiperazin-1-yl)-2-pyridinyl]methanamine

C13H19ClN4 — CID 62284685

IUPAC[3-chloro-6-(4-cyclopropylpiperazin-1-yl)-2-pyridinyl]methanamine
SMILESNCc1nc(N2CCN(C3CC3)CC2)ccc1Cl
InChIInChI=1S/C13H19ClN4/c14-11-3-4-13(16-12(11)9-15)18-7-5-17(6-8-18)10-1-2-10/h3-4,10H,1-2,5-9,15H2
InChIKeyQEFDIIJKKLUPSH-UHFFFAOYSA-N
MW266.78 g/mol
LogP1.48
Rot. Bonds3

About [3-chloro-6-(4-cyclopropylpiperazin-1-yl)-2-pyridinyl]methanamine

[3-chloro-6-(4-cyclopropylpiperazin-1-yl)-2-pyridinyl]methanamine (PubChem CID 62284685) has the molecular formula C13H19ClN4 and a molecular weight of 266.78 g/mol. Its IUPAC name is [3-chloro-6-(4-cyclopropylpiperazin-1-yl)-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[3-chloro-6-(4-cyclopropylpiperazin-1-yl)-2-pyridinyl]methanamine
PubChem CID62284685
Molecular FormulaC13H19ClN4
Molecular Weight266.78 g/mol
Exact Mass266.13
IUPAC Name[3-chloro-6-(4-cyclopropylpiperazin-1-yl)-2-pyridinyl]methanamine
SMILESNCc1nc(N2CCN(C3CC3)CC2)ccc1Cl
InChIInChI=1S/C13H19ClN4/c14-11-3-4-13(16-12(11)9-15)18-7-5-17(6-8-18)10-1-2-10/h3-4,10H,1-2,5-9,15H2
InChIKeyQEFDIIJKKLUPSH-UHFFFAOYSA-N
XLogP1.48
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 ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-chloro-6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-pyridinyl]methanamine
CID 55054497
[6-(8-azaspiro[4.5]decan-8-yl)-3-chloro-2-pyridinyl]methanamine
CID 55158910
[3-chloro-6-(3-methylpyrrolidin-1-yl)-2-pyridinyl]methanamine
CID 62285664
1-[6-(aminomethyl)-5-chloro-2-pyridinyl]-N,N-dimethylpyrrolidin-3-amine
CID 63168925
[3-chloro-6-(1,1-dioxo-1,4-thiazepan-4-yl)-2-pyridinyl]methanamine
CID 114083738
2-[5-chloro-6-(chloromethyl)-2-pyridinyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79943277
[3-chloro-6-(3-phenylpyrrolidin-1-yl)-2-pyridinyl]methanamine
CID 62298745
[3-chloro-6-(3,3,4-trimethylpiperazin-1-yl)-2-pyridinyl]methanamine
CID 63620622
3-(chloromethyl)-6-(4-cyclopropylpiperazin-1-yl)pyridazine
CID 61445366
5-chloro-6-[(4-cyclopropylpiperazin-1-yl)methyl]pyridin-2-amine
CID 55127735
6-(4-cyclopropylpiperazin-1-yl)pyridin-2-amine
CID 80653303
[3-chloro-4-(4-cyclopropylpiperazin-1-yl)phenyl]methanamine
CID 63089006

Frequently Asked Questions

What is the IUPAC name of [3-chloro-6-(4-cyclopropylpiperazin-1-yl)-2-pyridinyl]methanamine?
The IUPAC name of [3-chloro-6-(4-cyclopropylpiperazin-1-yl)-2-pyridinyl]methanamine (CID 62284685) is [3-chloro-6-(4-cyclopropylpiperazin-1-yl)-2-pyridinyl]methanamine.
What is the SMILES notation for [3-chloro-6-(4-cyclopropylpiperazin-1-yl)-2-pyridinyl]methanamine?
The canonical SMILES for [3-chloro-6-(4-cyclopropylpiperazin-1-yl)-2-pyridinyl]methanamine is NCc1nc(N2CCN(C3CC3)CC2)ccc1Cl.
What is the InChIKey of [3-chloro-6-(4-cyclopropylpiperazin-1-yl)-2-pyridinyl]methanamine?
The InChIKey is QEFDIIJKKLUPSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN4/c14-11-3-4-13(16-12(11)9-15)18-7-5-17(6-8-18)10-1-2-10/h3-4,10H,1-2,5-9,15H2.
What are the key properties of [3-chloro-6-(4-cyclopropylpiperazin-1-yl)-2-pyridinyl]methanamine?
[3-chloro-6-(4-cyclopropylpiperazin-1-yl)-2-pyridinyl]methanamine has a molecular weight of 266.78 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-6-(4-cyclopropylpiperazin-1-yl)-2-pyridinyl]methanamine is sourced from PubChem (CID 62284685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).