2-N-[4-(dimethylamino)butan-2-yl]-5-methylpyridine-2,4-diamine

C12H22N4 — CID 83265237

IUPAC2-N-[4-(dimethylamino)butan-2-yl]-5-methylpyridine-2,4-diamine
SMILESCc1cnc(NC(C)CCN(C)C)cc1N
InChIInChI=1S/C12H22N4/c1-9-8-14-12(7-11(9)13)15-10(2)5-6-16(3)4/h7-8,10H,5-6H2,1-4H3,(H3,13,14,15)
InChIKeyMAWODWKQYJCFQB-UHFFFAOYSA-N
MW222.34 g/mol
LogP1.72
Rot. Bonds5

About 2-N-[4-(dimethylamino)butan-2-yl]-5-methylpyridine-2,4-diamine

2-N-[4-(dimethylamino)butan-2-yl]-5-methylpyridine-2,4-diamine (PubChem CID 83265237) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is 2-N-[4-(dimethylamino)butan-2-yl]-5-methylpyridine-2,4-diamine.

Molecular Properties

Compound Name2-N-[4-(dimethylamino)butan-2-yl]-5-methylpyridine-2,4-diamine
PubChem CID83265237
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Name2-N-[4-(dimethylamino)butan-2-yl]-5-methylpyridine-2,4-diamine
SMILESCc1cnc(NC(C)CCN(C)C)cc1N
InChIInChI=1S/C12H22N4/c1-9-8-14-12(7-11(9)13)15-10(2)5-6-16(3)4/h7-8,10H,5-6H2,1-4H3,(H3,13,14,15)
InChIKeyMAWODWKQYJCFQB-UHFFFAOYSA-N
XLogP1.72
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Pinacidil
CID 55329
2-Amino-4-methylpyridine
CID 1533
2-Amino-3-methylpyridine
CID 15347
2-Amino-5-methylpyridine
CID 15348
2-(Benzylamino)pyridine
CID 23362
N-2-Pyridylaniline
CID 81130
2-Pyridinamine, N-methyl-
CID 20727
Pinacidil anhydrous
CID 4826
2-Pyridinamine, 4-methyl-N-(phenylmethyl)-
CID 83053
2-(Piperazin-1-yl)pyridine-3-carbonitrile
CID 2737203
1-[3-(Trifluoromethyl)pyridin-2-yl]piperazine
CID 2777786
1-(3-Methyl-pyridin-2-YL)-3-phenyl-urea
CID 790718

Frequently Asked Questions

What is the IUPAC name of 2-N-[4-(dimethylamino)butan-2-yl]-5-methylpyridine-2,4-diamine?
The IUPAC name of 2-N-[4-(dimethylamino)butan-2-yl]-5-methylpyridine-2,4-diamine (CID 83265237) is 2-N-[4-(dimethylamino)butan-2-yl]-5-methylpyridine-2,4-diamine.
What is the SMILES notation for 2-N-[4-(dimethylamino)butan-2-yl]-5-methylpyridine-2,4-diamine?
The canonical SMILES for 2-N-[4-(dimethylamino)butan-2-yl]-5-methylpyridine-2,4-diamine is Cc1cnc(NC(C)CCN(C)C)cc1N.
What is the InChIKey of 2-N-[4-(dimethylamino)butan-2-yl]-5-methylpyridine-2,4-diamine?
The InChIKey is MAWODWKQYJCFQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-9-8-14-12(7-11(9)13)15-10(2)5-6-16(3)4/h7-8,10H,5-6H2,1-4H3,(H3,13,14,15).
What are the key properties of 2-N-[4-(dimethylamino)butan-2-yl]-5-methylpyridine-2,4-diamine?
2-N-[4-(dimethylamino)butan-2-yl]-5-methylpyridine-2,4-diamine has a molecular weight of 222.34 g/mol, XLogP of 1.72, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[4-(dimethylamino)butan-2-yl]-5-methylpyridine-2,4-diamine is sourced from PubChem (CID 83265237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).