6-chloro-2-N-(1-methoxypropan-2-yl)-2-N-methylpyridine-2,4-diamine

C10H16ClN3O — CID 104923935

IUPAC6-chloro-2-N-(1-methoxypropan-2-yl)-2-N-methylpyridine-2,4-diamine
SMILESCOCC(C)N(C)c1cc(N)cc(Cl)n1
InChIInChI=1S/C10H16ClN3O/c1-7(6-15-3)14(2)10-5-8(12)4-9(11)13-10/h4-5,7H,6H2,1-3H3,(H2,12,13)
InChIKeyDLPKLENVBHKTDJ-UHFFFAOYSA-N
MW229.71 g/mol
LogP1.79
Rot. Bonds4

About 6-chloro-2-N-(1-methoxypropan-2-yl)-2-N-methylpyridine-2,4-diamine

6-chloro-2-N-(1-methoxypropan-2-yl)-2-N-methylpyridine-2,4-diamine (PubChem CID 104923935) has the molecular formula C10H16ClN3O and a molecular weight of 229.71 g/mol. Its IUPAC name is 6-chloro-2-N-(1-methoxypropan-2-yl)-2-N-methylpyridine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-2-N-(1-methoxypropan-2-yl)-2-N-methylpyridine-2,4-diamine
PubChem CID104923935
Molecular FormulaC10H16ClN3O
Molecular Weight229.71 g/mol
Exact Mass229.10
IUPAC Name6-chloro-2-N-(1-methoxypropan-2-yl)-2-N-methylpyridine-2,4-diamine
SMILESCOCC(C)N(C)c1cc(N)cc(Cl)n1
InChIInChI=1S/C10H16ClN3O/c1-7(6-15-3)14(2)10-5-8(12)4-9(11)13-10/h4-5,7H,6H2,1-3H3,(H2,12,13)
InChIKeyDLPKLENVBHKTDJ-UHFFFAOYSA-N
XLogP1.79
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.71
LogP ≤ 51.79
H-Bond Donors ≤ 51
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-methoxypropan-2-yl)-2-N-methylpyridine-2,4-diamine?
The IUPAC name of 6-chloro-2-N-(1-methoxypropan-2-yl)-2-N-methylpyridine-2,4-diamine (CID 104923935) is 6-chloro-2-N-(1-methoxypropan-2-yl)-2-N-methylpyridine-2,4-diamine.
What is the SMILES notation for 6-chloro-2-N-(1-methoxypropan-2-yl)-2-N-methylpyridine-2,4-diamine?
The canonical SMILES for 6-chloro-2-N-(1-methoxypropan-2-yl)-2-N-methylpyridine-2,4-diamine is COCC(C)N(C)c1cc(N)cc(Cl)n1.
What is the InChIKey of 6-chloro-2-N-(1-methoxypropan-2-yl)-2-N-methylpyridine-2,4-diamine?
The InChIKey is DLPKLENVBHKTDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3O/c1-7(6-15-3)14(2)10-5-8(12)4-9(11)13-10/h4-5,7H,6H2,1-3H3,(H2,12,13).
What are the key properties of 6-chloro-2-N-(1-methoxypropan-2-yl)-2-N-methylpyridine-2,4-diamine?
6-chloro-2-N-(1-methoxypropan-2-yl)-2-N-methylpyridine-2,4-diamine has a molecular weight of 229.71 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N-(1-methoxypropan-2-yl)-2-N-methylpyridine-2,4-diamine is sourced from PubChem (CID 104923935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).