6-chloro-2-N-[[1-(dimethylamino)cyclopentyl]methyl]pyridine-2,4-diamine

C13H21ClN4 — CID 104923863

IUPAC6-chloro-2-N-[[1-(dimethylamino)cyclopentyl]methyl]pyridine-2,4-diamine
SMILESCN(C)C1(CNc2cc(N)cc(Cl)n2)CCCC1
InChIInChI=1S/C13H21ClN4/c1-18(2)13(5-3-4-6-13)9-16-12-8-10(15)7-11(14)17-12/h7-8H,3-6,9H2,1-2H3,(H3,15,16,17)
InChIKeyYWMGYEAZKKZGFA-UHFFFAOYSA-N
MW268.79 g/mol
LogP2.60
Rot. Bonds4

About 6-chloro-2-N-[[1-(dimethylamino)cyclopentyl]methyl]pyridine-2,4-diamine

6-chloro-2-N-[[1-(dimethylamino)cyclopentyl]methyl]pyridine-2,4-diamine (PubChem CID 104923863) has the molecular formula C13H21ClN4 and a molecular weight of 268.79 g/mol. Its IUPAC name is 6-chloro-2-N-[[1-(dimethylamino)cyclopentyl]methyl]pyridine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-2-N-[[1-(dimethylamino)cyclopentyl]methyl]pyridine-2,4-diamine
PubChem CID104923863
Molecular FormulaC13H21ClN4
Molecular Weight268.79 g/mol
Exact Mass268.15
IUPAC Name6-chloro-2-N-[[1-(dimethylamino)cyclopentyl]methyl]pyridine-2,4-diamine
SMILESCN(C)C1(CNc2cc(N)cc(Cl)n2)CCCC1
InChIInChI=1S/C13H21ClN4/c1-18(2)13(5-3-4-6-13)9-16-12-8-10(15)7-11(14)17-12/h7-8H,3-6,9H2,1-2H3,(H3,15,16,17)
InChIKeyYWMGYEAZKKZGFA-UHFFFAOYSA-N
XLogP2.60
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N-[[1-(dimethylamino)cyclopentyl]methyl]pyridine-2,4-diamine?
The IUPAC name of 6-chloro-2-N-[[1-(dimethylamino)cyclopentyl]methyl]pyridine-2,4-diamine (CID 104923863) is 6-chloro-2-N-[[1-(dimethylamino)cyclopentyl]methyl]pyridine-2,4-diamine.
What is the SMILES notation for 6-chloro-2-N-[[1-(dimethylamino)cyclopentyl]methyl]pyridine-2,4-diamine?
The canonical SMILES for 6-chloro-2-N-[[1-(dimethylamino)cyclopentyl]methyl]pyridine-2,4-diamine is CN(C)C1(CNc2cc(N)cc(Cl)n2)CCCC1.
What is the InChIKey of 6-chloro-2-N-[[1-(dimethylamino)cyclopentyl]methyl]pyridine-2,4-diamine?
The InChIKey is YWMGYEAZKKZGFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN4/c1-18(2)13(5-3-4-6-13)9-16-12-8-10(15)7-11(14)17-12/h7-8H,3-6,9H2,1-2H3,(H3,15,16,17).
What are the key properties of 6-chloro-2-N-[[1-(dimethylamino)cyclopentyl]methyl]pyridine-2,4-diamine?
6-chloro-2-N-[[1-(dimethylamino)cyclopentyl]methyl]pyridine-2,4-diamine has a molecular weight of 268.79 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N-[[1-(dimethylamino)cyclopentyl]methyl]pyridine-2,4-diamine is sourced from PubChem (CID 104923863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).