6-chloro-2-N-methyl-2-N-(3-methylbutan-2-yl)pyridine-2,4-diamine

C11H18ClN3 — CID 102809431

IUPAC6-chloro-2-N-methyl-2-N-(3-methylbutan-2-yl)pyridine-2,4-diamine
SMILESCC(C)C(C)N(C)c1cc(N)cc(Cl)n1
InChIInChI=1S/C11H18ClN3/c1-7(2)8(3)15(4)11-6-9(13)5-10(12)14-11/h5-8H,1-4H3,(H2,13,14)
InChIKeyOKIBTSRNVOMJTO-UHFFFAOYSA-N
MW227.74 g/mol
LogP2.80
Rot. Bonds3

About 6-chloro-2-N-methyl-2-N-(3-methylbutan-2-yl)pyridine-2,4-diamine

6-chloro-2-N-methyl-2-N-(3-methylbutan-2-yl)pyridine-2,4-diamine (PubChem CID 102809431) has the molecular formula C11H18ClN3 and a molecular weight of 227.74 g/mol. Its IUPAC name is 6-chloro-2-N-methyl-2-N-(3-methylbutan-2-yl)pyridine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-2-N-methyl-2-N-(3-methylbutan-2-yl)pyridine-2,4-diamine
PubChem CID102809431
Molecular FormulaC11H18ClN3
Molecular Weight227.74 g/mol
Exact Mass227.12
IUPAC Name6-chloro-2-N-methyl-2-N-(3-methylbutan-2-yl)pyridine-2,4-diamine
SMILESCC(C)C(C)N(C)c1cc(N)cc(Cl)n1
InChIInChI=1S/C11H18ClN3/c1-7(2)8(3)15(4)11-6-9(13)5-10(12)14-11/h5-8H,1-4H3,(H2,13,14)
InChIKeyOKIBTSRNVOMJTO-UHFFFAOYSA-N
XLogP2.80
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.74
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-2-N-(1-methoxypropan-2-yl)-2-N-methylpyridine-2,4-diamine
CID 104923935
6-chloro-N-methyl-N-(3-methylbutan-2-yl)-4-nitropyridin-2-amine
CID 102809432
6-chloro-2-N-methyl-2-N-(1-methylsulfanylbutan-2-yl)pyridine-2,4-diamine
CID 104925205
2-ethyl-4-N-methyl-4-N-(3-methylbutan-2-yl)pyrimidine-4,6-diamine
CID 80933289
2-[(4-amino-6-chloro-2-pyridinyl)-(2-methylpropyl)amino]acetamide
CID 114070570
2-[(4-amino-6-chloro-2-pyridinyl)-methylamino]-N,N-dimethylacetamide
CID 104918783
2-N-methyl-2-N-(3-methylbutan-2-yl)pyrazine-2,5-diamine
CID 80652513
6-chloro-2-N-[2-(dimethylamino)propyl]pyridine-2,4-diamine
CID 102809450
N-butan-2-yl-6-chloro-N-methyl-4-(trifluoromethyl)pyridin-2-amine
CID 102715484
3-[(4-amino-6-chloro-2-pyridinyl)-methylamino]-N-methylpropanamide
CID 104924164
6-(chloromethyl)-N-methyl-N-(3-methylbutan-2-yl)pyrazin-2-amine
CID 66467554
4-chloro-N-methyl-N-(3-methylbutan-2-yl)-1,3-thiazol-2-amine
CID 83155951

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N-methyl-2-N-(3-methylbutan-2-yl)pyridine-2,4-diamine?
The IUPAC name of 6-chloro-2-N-methyl-2-N-(3-methylbutan-2-yl)pyridine-2,4-diamine (CID 102809431) is 6-chloro-2-N-methyl-2-N-(3-methylbutan-2-yl)pyridine-2,4-diamine.
What is the SMILES notation for 6-chloro-2-N-methyl-2-N-(3-methylbutan-2-yl)pyridine-2,4-diamine?
The canonical SMILES for 6-chloro-2-N-methyl-2-N-(3-methylbutan-2-yl)pyridine-2,4-diamine is CC(C)C(C)N(C)c1cc(N)cc(Cl)n1.
What is the InChIKey of 6-chloro-2-N-methyl-2-N-(3-methylbutan-2-yl)pyridine-2,4-diamine?
The InChIKey is OKIBTSRNVOMJTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3/c1-7(2)8(3)15(4)11-6-9(13)5-10(12)14-11/h5-8H,1-4H3,(H2,13,14).
What are the key properties of 6-chloro-2-N-methyl-2-N-(3-methylbutan-2-yl)pyridine-2,4-diamine?
6-chloro-2-N-methyl-2-N-(3-methylbutan-2-yl)pyridine-2,4-diamine has a molecular weight of 227.74 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N-methyl-2-N-(3-methylbutan-2-yl)pyridine-2,4-diamine is sourced from PubChem (CID 102809431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).