6-chloro-2-N-[2-(dimethylamino)propyl]pyridine-2,4-diamine

C10H17ClN4 — CID 102809450

IUPAC6-chloro-2-N-[2-(dimethylamino)propyl]pyridine-2,4-diamine
SMILESCC(CNc1cc(N)cc(Cl)n1)N(C)C
InChIInChI=1S/C10H17ClN4/c1-7(15(2)3)6-13-10-5-8(12)4-9(11)14-10/h4-5,7H,6H2,1-3H3,(H3,12,13,14)
InChIKeyDLZPLGRFSXDNSR-UHFFFAOYSA-N
MW228.73 g/mol
LogP1.68
Rot. Bonds4

About 6-chloro-2-N-[2-(dimethylamino)propyl]pyridine-2,4-diamine

6-chloro-2-N-[2-(dimethylamino)propyl]pyridine-2,4-diamine (PubChem CID 102809450) has the molecular formula C10H17ClN4 and a molecular weight of 228.73 g/mol. Its IUPAC name is 6-chloro-2-N-[2-(dimethylamino)propyl]pyridine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-2-N-[2-(dimethylamino)propyl]pyridine-2,4-diamine
PubChem CID102809450
Molecular FormulaC10H17ClN4
Molecular Weight228.73 g/mol
Exact Mass228.11
IUPAC Name6-chloro-2-N-[2-(dimethylamino)propyl]pyridine-2,4-diamine
SMILESCC(CNc1cc(N)cc(Cl)n1)N(C)C
InChIInChI=1S/C10H17ClN4/c1-7(15(2)3)6-13-10-5-8(12)4-9(11)14-10/h4-5,7H,6H2,1-3H3,(H3,12,13,14)
InChIKeyDLZPLGRFSXDNSR-UHFFFAOYSA-N
XLogP1.68
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.73
LogP ≤ 51.68
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-[2-(dimethylamino)propyl]pyridine-2,4-diamine?
The IUPAC name of 6-chloro-2-N-[2-(dimethylamino)propyl]pyridine-2,4-diamine (CID 102809450) is 6-chloro-2-N-[2-(dimethylamino)propyl]pyridine-2,4-diamine.
What is the SMILES notation for 6-chloro-2-N-[2-(dimethylamino)propyl]pyridine-2,4-diamine?
The canonical SMILES for 6-chloro-2-N-[2-(dimethylamino)propyl]pyridine-2,4-diamine is CC(CNc1cc(N)cc(Cl)n1)N(C)C.
What is the InChIKey of 6-chloro-2-N-[2-(dimethylamino)propyl]pyridine-2,4-diamine?
The InChIKey is DLZPLGRFSXDNSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClN4/c1-7(15(2)3)6-13-10-5-8(12)4-9(11)14-10/h4-5,7H,6H2,1-3H3,(H3,12,13,14).
What are the key properties of 6-chloro-2-N-[2-(dimethylamino)propyl]pyridine-2,4-diamine?
6-chloro-2-N-[2-(dimethylamino)propyl]pyridine-2,4-diamine has a molecular weight of 228.73 g/mol, XLogP of 1.68, 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-[2-(dimethylamino)propyl]pyridine-2,4-diamine is sourced from PubChem (CID 102809450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).