2-methoxy-4-N,4-N-dimethyl-3-N-(1-methylpyrrolidin-3-yl)pyridine-3,4-diamine

C13H22N4O — CID 62977636

IUPAC2-methoxy-4-N,4-N-dimethyl-3-N-(1-methylpyrrolidin-3-yl)pyridine-3,4-diamine
SMILESCOc1nccc(N(C)C)c1NC1CCN(C)C1
InChIInChI=1S/C13H22N4O/c1-16(2)11-5-7-14-13(18-4)12(11)15-10-6-8-17(3)9-10/h5,7,10,15H,6,8-9H2,1-4H3
InChIKeyLNPQMHKXICQENP-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.27
Rot. Bonds4

About 2-methoxy-4-N,4-N-dimethyl-3-N-(1-methylpyrrolidin-3-yl)pyridine-3,4-diamine

2-methoxy-4-N,4-N-dimethyl-3-N-(1-methylpyrrolidin-3-yl)pyridine-3,4-diamine (PubChem CID 62977636) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 2-methoxy-4-N,4-N-dimethyl-3-N-(1-methylpyrrolidin-3-yl)pyridine-3,4-diamine.

Molecular Properties

Compound Name2-methoxy-4-N,4-N-dimethyl-3-N-(1-methylpyrrolidin-3-yl)pyridine-3,4-diamine
PubChem CID62977636
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name2-methoxy-4-N,4-N-dimethyl-3-N-(1-methylpyrrolidin-3-yl)pyridine-3,4-diamine
SMILESCOc1nccc(N(C)C)c1NC1CCN(C)C1
InChIInChI=1S/C13H22N4O/c1-16(2)11-5-7-14-13(18-4)12(11)15-10-6-8-17(3)9-10/h5,7,10,15H,6,8-9H2,1-4H3
InChIKeyLNPQMHKXICQENP-UHFFFAOYSA-N
XLogP1.27
TPSA40.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-N-cyclopentyl-2-methoxy-4-N,4-N-dimethylpyridine-3,4-diamine
CID 43678920
2-methoxy-4-N,4-N-dimethyl-3-N-(thian-4-yl)pyridine-3,4-diamine
CID 43679022
2-methoxy-4-N,4-N-dimethyl-3-N-(2-methylcyclopentyl)pyridine-3,4-diamine
CID 65044066
3-N-(6-bicyclo[3.2.0]hept-3-enyl)-2-methoxy-4-N,4-N-dimethylpyridine-3,4-diamine
CID 43779998
3-N-heptan-4-yl-2-methoxy-4-N,4-N-dimethylpyridine-3,4-diamine
CID 43678972
2-cyclopropyl-N-[4-(dimethylamino)-2-methoxy-3-pyridinyl]propanamide
CID 75376281
N-(1-methylpyrrolidin-3-yl)pyrimidin-2-amine
CID 61464985
2-methoxy-4-N,4-N-dimethyl-3-N-[(5-methyloxolan-2-yl)methyl]pyridine-3,4-diamine
CID 82834992
2-methoxy-4-N,4-N-dimethyl-3-N-(pyridin-4-ylmethyl)pyridine-3,4-diamine
CID 43678938
2-methoxy-4-N,4-N-dimethyl-3-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridine-3,4-diamine
CID 43678884
5-methoxy-N-(1-methylpiperidin-4-yl)isoquinolin-1-amine
CID 106537508
1-methyl-N-(1-methylpyrrolidin-3-yl)imidazol-2-amine
CID 62133635

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-N,4-N-dimethyl-3-N-(1-methylpyrrolidin-3-yl)pyridine-3,4-diamine?
The IUPAC name of 2-methoxy-4-N,4-N-dimethyl-3-N-(1-methylpyrrolidin-3-yl)pyridine-3,4-diamine (CID 62977636) is 2-methoxy-4-N,4-N-dimethyl-3-N-(1-methylpyrrolidin-3-yl)pyridine-3,4-diamine.
What is the SMILES notation for 2-methoxy-4-N,4-N-dimethyl-3-N-(1-methylpyrrolidin-3-yl)pyridine-3,4-diamine?
The canonical SMILES for 2-methoxy-4-N,4-N-dimethyl-3-N-(1-methylpyrrolidin-3-yl)pyridine-3,4-diamine is COc1nccc(N(C)C)c1NC1CCN(C)C1.
What is the InChIKey of 2-methoxy-4-N,4-N-dimethyl-3-N-(1-methylpyrrolidin-3-yl)pyridine-3,4-diamine?
The InChIKey is LNPQMHKXICQENP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-16(2)11-5-7-14-13(18-4)12(11)15-10-6-8-17(3)9-10/h5,7,10,15H,6,8-9H2,1-4H3.
What are the key properties of 2-methoxy-4-N,4-N-dimethyl-3-N-(1-methylpyrrolidin-3-yl)pyridine-3,4-diamine?
2-methoxy-4-N,4-N-dimethyl-3-N-(1-methylpyrrolidin-3-yl)pyridine-3,4-diamine has a molecular weight of 250.35 g/mol, XLogP of 1.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-N,4-N-dimethyl-3-N-(1-methylpyrrolidin-3-yl)pyridine-3,4-diamine is sourced from PubChem (CID 62977636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).