2-chloro-4-N-(1,3-dimethoxypropan-2-yl)-6-methylpyridine-3,4-diamine

C11H18ClN3O2 — CID 18689798

IUPAC2-chloro-4-N-(1,3-dimethoxypropan-2-yl)-6-methylpyridine-3,4-diamine
SMILESCOCC(COC)Nc1cc(C)nc(Cl)c1N
InChIInChI=1S/C11H18ClN3O2/c1-7-4-9(10(13)11(12)14-7)15-8(5-16-2)6-17-3/h4,8H,5-6,13H2,1-3H3,(H,14,15)
InChIKeyQCQXOVBDXQPDSJ-UHFFFAOYSA-N
MW259.74 g/mol
LogP1.70
Rot. Bonds6

About 2-chloro-4-N-(1,3-dimethoxypropan-2-yl)-6-methylpyridine-3,4-diamine

2-chloro-4-N-(1,3-dimethoxypropan-2-yl)-6-methylpyridine-3,4-diamine (PubChem CID 18689798) has the molecular formula C11H18ClN3O2 and a molecular weight of 259.74 g/mol. Its IUPAC name is 2-chloro-4-N-(1,3-dimethoxypropan-2-yl)-6-methylpyridine-3,4-diamine.

Molecular Properties

Compound Name2-chloro-4-N-(1,3-dimethoxypropan-2-yl)-6-methylpyridine-3,4-diamine
PubChem CID18689798
Molecular FormulaC11H18ClN3O2
Molecular Weight259.74 g/mol
Exact Mass259.11
IUPAC Name2-chloro-4-N-(1,3-dimethoxypropan-2-yl)-6-methylpyridine-3,4-diamine
SMILESCOCC(COC)Nc1cc(C)nc(Cl)c1N
InChIInChI=1S/C11H18ClN3O2/c1-7-4-9(10(13)11(12)14-7)15-8(5-16-2)6-17-3/h4,8H,5-6,13H2,1-3H3,(H,14,15)
InChIKeyQCQXOVBDXQPDSJ-UHFFFAOYSA-N
XLogP1.70
TPSA69.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.74
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-chloro-6-methyl-4-(pentan-3-ylamino)pyridine-3-carboxylate
CID 24806876
3-(2-chloro-4,6-dimethylphenyl)-N-(1,3-dimethoxypropan-2-yl)-5-methyltriazolo[4,5-b]pyridin-7-amine
CID 10862079
N-(4-chloro-1-methoxybutan-2-yl)-4,6-dimethylpyrimidin-2-amine
CID 106153905
2-chloro-4-N-(1-methoxypentan-2-yl)-5-methylbenzene-1,4-diamine
CID 113334355
2-chloro-4-N-[(4-fluoro-3-methylphenyl)methyl]-6-methylpyridine-3,4-diamine
CID 151014495
5-methoxy-4-N-(2,4,5-trichlorophenyl)pentane-1,4-diamine
CID 103387083
4-N-(1-methoxy-3-methylbutan-2-yl)-6-methylpyrimidine-2,4-diamine
CID 79033479
3-[(5-amino-2-chloro-6-methylpyrimidin-4-yl)amino]-4-methoxybutan-1-ol
CID 114150856
1-(2,6-dimethyl-4-pyridinyl)-2-methoxyethanamine
CID 107503103
2-(4-chloro-2,6-dimethylphenoxy)-N-(1-methoxybutan-2-yl)-6-methylpyridin-4-amine
CID 22603159
4-chloro-1-(1-methoxybutan-2-yl)-6-methyltriazolo[4,5-c]pyridine
CID 18629214
3-[(5-amino-3-chloro-2-pyridinyl)amino]-4-methoxybutan-1-ol
CID 106153927

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-N-(1,3-dimethoxypropan-2-yl)-6-methylpyridine-3,4-diamine?
The IUPAC name of 2-chloro-4-N-(1,3-dimethoxypropan-2-yl)-6-methylpyridine-3,4-diamine (CID 18689798) is 2-chloro-4-N-(1,3-dimethoxypropan-2-yl)-6-methylpyridine-3,4-diamine.
What is the SMILES notation for 2-chloro-4-N-(1,3-dimethoxypropan-2-yl)-6-methylpyridine-3,4-diamine?
The canonical SMILES for 2-chloro-4-N-(1,3-dimethoxypropan-2-yl)-6-methylpyridine-3,4-diamine is COCC(COC)Nc1cc(C)nc(Cl)c1N.
What is the InChIKey of 2-chloro-4-N-(1,3-dimethoxypropan-2-yl)-6-methylpyridine-3,4-diamine?
The InChIKey is QCQXOVBDXQPDSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3O2/c1-7-4-9(10(13)11(12)14-7)15-8(5-16-2)6-17-3/h4,8H,5-6,13H2,1-3H3,(H,14,15).
What are the key properties of 2-chloro-4-N-(1,3-dimethoxypropan-2-yl)-6-methylpyridine-3,4-diamine?
2-chloro-4-N-(1,3-dimethoxypropan-2-yl)-6-methylpyridine-3,4-diamine has a molecular weight of 259.74 g/mol, XLogP of 1.70, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-N-(1,3-dimethoxypropan-2-yl)-6-methylpyridine-3,4-diamine is sourced from PubChem (CID 18689798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).