6-chloro-2-N-methyl-2-N-[3-(methylamino)propyl]pyridine-2,3-diamine

C10H17ClN4 — CID 115474337

IUPAC6-chloro-2-N-methyl-2-N-[3-(methylamino)propyl]pyridine-2,3-diamine
SMILESCNCCCN(C)c1nc(Cl)ccc1N
InChIInChI=1S/C10H17ClN4/c1-13-6-3-7-15(2)10-8(12)4-5-9(11)14-10/h4-5,13H,3,6-7,12H2,1-2H3
InChIKeyBDQGBKYQKXGQBN-UHFFFAOYSA-N
MW228.73 g/mol
LogP1.36
Rot. Bonds5

About 6-chloro-2-N-methyl-2-N-[3-(methylamino)propyl]pyridine-2,3-diamine

6-chloro-2-N-methyl-2-N-[3-(methylamino)propyl]pyridine-2,3-diamine (PubChem CID 115474337) has the molecular formula C10H17ClN4 and a molecular weight of 228.73 g/mol. Its IUPAC name is 6-chloro-2-N-methyl-2-N-[3-(methylamino)propyl]pyridine-2,3-diamine.

Molecular Properties

Compound Name6-chloro-2-N-methyl-2-N-[3-(methylamino)propyl]pyridine-2,3-diamine
PubChem CID115474337
Molecular FormulaC10H17ClN4
Molecular Weight228.73 g/mol
Exact Mass228.11
IUPAC Name6-chloro-2-N-methyl-2-N-[3-(methylamino)propyl]pyridine-2,3-diamine
SMILESCNCCCN(C)c1nc(Cl)ccc1N
InChIInChI=1S/C10H17ClN4/c1-13-6-3-7-15(2)10-8(12)4-5-9(11)14-10/h4-5,13H,3,6-7,12H2,1-2H3
InChIKeyBDQGBKYQKXGQBN-UHFFFAOYSA-N
XLogP1.36
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.73
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[(3-amino-6-chloro-2-pyridinyl)-methylamino]pentan-1-ol
CID 107197978
6-chloro-2-N-methyl-2-N-(3,3,3-trifluoropropyl)pyridine-2,3-diamine
CID 115474266
2-N-benzyl-6-chloro-2-N-methylpyridine-2,3-diamine
CID 115473524
5-amino-6-[methyl-[3-(methylamino)propyl]amino]pyridine-3-carbonitrile
CID 103468814
2-[(3-amino-6-chloro-2-pyridinyl)-(2-hydroxyethyl)amino]ethanol
CID 115473782
N'-(5-chloropyrimidin-4-yl)-N,N'-dimethylpropane-1,3-diamine
CID 105369023
3-[(3-amino-6-chloro-2-pyridinyl)-propan-2-ylamino]propan-1-ol
CID 115473977
6-chloro-2-N-[2-(dimethylamino)ethyl]pyridine-2,3-diamine
CID 24903980
6-chloro-2-[4-(methylamino)but-1-enyl]pyridin-3-amine
CID 170495397
6-chloro-2-N,2-N-bis(2-methylpropyl)pyridine-2,3-diamine
CID 113316760
5-amino-6-[5-hydroxypentyl(methyl)amino]pyridine-2-carboxylic acid
CID 107203250
1-[2-amino-5-[methyl-[3-(methylamino)propyl]amino]phenyl]ethanone
CID 104613009

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N-methyl-2-N-[3-(methylamino)propyl]pyridine-2,3-diamine?
The IUPAC name of 6-chloro-2-N-methyl-2-N-[3-(methylamino)propyl]pyridine-2,3-diamine (CID 115474337) is 6-chloro-2-N-methyl-2-N-[3-(methylamino)propyl]pyridine-2,3-diamine.
What is the SMILES notation for 6-chloro-2-N-methyl-2-N-[3-(methylamino)propyl]pyridine-2,3-diamine?
The canonical SMILES for 6-chloro-2-N-methyl-2-N-[3-(methylamino)propyl]pyridine-2,3-diamine is CNCCCN(C)c1nc(Cl)ccc1N.
What is the InChIKey of 6-chloro-2-N-methyl-2-N-[3-(methylamino)propyl]pyridine-2,3-diamine?
The InChIKey is BDQGBKYQKXGQBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClN4/c1-13-6-3-7-15(2)10-8(12)4-5-9(11)14-10/h4-5,13H,3,6-7,12H2,1-2H3.
What are the key properties of 6-chloro-2-N-methyl-2-N-[3-(methylamino)propyl]pyridine-2,3-diamine?
6-chloro-2-N-methyl-2-N-[3-(methylamino)propyl]pyridine-2,3-diamine has a molecular weight of 228.73 g/mol, XLogP of 1.36, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N-methyl-2-N-[3-(methylamino)propyl]pyridine-2,3-diamine is sourced from PubChem (CID 115474337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).