6-N-[(2-methoxy-3-pyridinyl)methyl]pyridine-2,6-diamine

C12H14N4O — CID 80647149

IUPAC6-N-[(2-methoxy-3-pyridinyl)methyl]pyridine-2,6-diamine
SMILESCOc1ncccc1CNc1cccc(N)n1
InChIInChI=1S/C12H14N4O/c1-17-12-9(4-3-7-14-12)8-15-11-6-2-5-10(13)16-11/h2-7H,8H2,1H3,(H3,13,15,16)
InChIKeyFYPBFYCQUGKHOJ-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.68
Rot. Bonds4

About 6-N-[(2-methoxy-3-pyridinyl)methyl]pyridine-2,6-diamine

6-N-[(2-methoxy-3-pyridinyl)methyl]pyridine-2,6-diamine (PubChem CID 80647149) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is 6-N-[(2-methoxy-3-pyridinyl)methyl]pyridine-2,6-diamine.

Molecular Properties

Compound Name6-N-[(2-methoxy-3-pyridinyl)methyl]pyridine-2,6-diamine
PubChem CID80647149
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC Name6-N-[(2-methoxy-3-pyridinyl)methyl]pyridine-2,6-diamine
SMILESCOc1ncccc1CNc1cccc(N)n1
InChIInChI=1S/C12H14N4O/c1-17-12-9(4-3-7-14-12)8-15-11-6-2-5-10(13)16-11/h2-7H,8H2,1H3,(H3,13,15,16)
InChIKeyFYPBFYCQUGKHOJ-UHFFFAOYSA-N
XLogP1.68
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-methoxy-4-N-[(2-methoxy-3-pyridinyl)methyl]pyrimidine-2,4-diamine
CID 104696689
N-[(2-methoxy-3-pyridinyl)methyl]pyrazolo[1,5-a]pyrimidin-5-amine
CID 115372377
N-[(2-methoxy-3-pyridinyl)methyl]-6-methylpyridazin-3-amine
CID 61312329
5-bromo-N-[(2-methoxy-3-pyridinyl)methyl]pyridin-2-amine
CID 58259421
3-[(2-methoxy-3-pyridinyl)methylamino]-1H-pyridazin-6-one
CID 121205932
2-N-[(2-methoxy-3-pyridinyl)methyl]-4-methylpyridine-2,3-diamine
CID 114051199
2-[(2-methoxy-3-pyridinyl)methylamino]-6-methylpyridine-4-carbonitrile
CID 114769703
2-fluoro-N-[(2-methoxy-3-pyridinyl)methyl]-3-methylaniline
CID 114254628
N-[(2-methoxy-3-pyridinyl)methyl]-1,2,4-benzotriazin-3-amine
CID 103204100
6-chloro-4-N-[(2-methoxy-3-pyridinyl)methyl]pyrimidine-4,5-diamine
CID 113229570
1-(2-methoxy-3-pyridinyl)-N-[(2-methylpropan-2-yl)oxy]methanamine
CID 82724314
6-N-[(3-methyl-4-pyridinyl)methyl]pyridine-2,6-diamine
CID 114702189

Frequently Asked Questions

What is the IUPAC name of 6-N-[(2-methoxy-3-pyridinyl)methyl]pyridine-2,6-diamine?
The IUPAC name of 6-N-[(2-methoxy-3-pyridinyl)methyl]pyridine-2,6-diamine (CID 80647149) is 6-N-[(2-methoxy-3-pyridinyl)methyl]pyridine-2,6-diamine.
What is the SMILES notation for 6-N-[(2-methoxy-3-pyridinyl)methyl]pyridine-2,6-diamine?
The canonical SMILES for 6-N-[(2-methoxy-3-pyridinyl)methyl]pyridine-2,6-diamine is COc1ncccc1CNc1cccc(N)n1.
What is the InChIKey of 6-N-[(2-methoxy-3-pyridinyl)methyl]pyridine-2,6-diamine?
The InChIKey is FYPBFYCQUGKHOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O/c1-17-12-9(4-3-7-14-12)8-15-11-6-2-5-10(13)16-11/h2-7H,8H2,1H3,(H3,13,15,16).
What are the key properties of 6-N-[(2-methoxy-3-pyridinyl)methyl]pyridine-2,6-diamine?
6-N-[(2-methoxy-3-pyridinyl)methyl]pyridine-2,6-diamine has a molecular weight of 230.27 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[(2-methoxy-3-pyridinyl)methyl]pyridine-2,6-diamine is sourced from PubChem (CID 80647149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).