2-methoxy-4-N,4-N-dimethyl-3-N-(1H-pyrazol-5-ylmethyl)pyridine-3,4-diamine

C12H17N5O — CID 43679012

IUPAC2-methoxy-4-N,4-N-dimethyl-3-N-(1H-pyrazol-5-ylmethyl)pyridine-3,4-diamine
SMILESCOc1nccc(N(C)C)c1NCc1ccn[nH]1
InChIInChI=1S/C12H17N5O/c1-17(2)10-5-6-13-12(18-3)11(10)14-8-9-4-7-15-16-9/h4-7,14H,8H2,1-3H3,(H,15,16)
InChIKeyBUCJITXNMRKTHC-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.49
Rot. Bonds5

About 2-methoxy-4-N,4-N-dimethyl-3-N-(1H-pyrazol-5-ylmethyl)pyridine-3,4-diamine

2-methoxy-4-N,4-N-dimethyl-3-N-(1H-pyrazol-5-ylmethyl)pyridine-3,4-diamine (PubChem CID 43679012) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is 2-methoxy-4-N,4-N-dimethyl-3-N-(1H-pyrazol-5-ylmethyl)pyridine-3,4-diamine.

Molecular Properties

Compound Name2-methoxy-4-N,4-N-dimethyl-3-N-(1H-pyrazol-5-ylmethyl)pyridine-3,4-diamine
PubChem CID43679012
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC Name2-methoxy-4-N,4-N-dimethyl-3-N-(1H-pyrazol-5-ylmethyl)pyridine-3,4-diamine
SMILESCOc1nccc(N(C)C)c1NCc1ccn[nH]1
InChIInChI=1S/C12H17N5O/c1-17(2)10-5-6-13-12(18-3)11(10)14-8-9-4-7-15-16-9/h4-7,14H,8H2,1-3H3,(H,15,16)
InChIKeyBUCJITXNMRKTHC-UHFFFAOYSA-N
XLogP1.49
TPSA66.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-4-N,4-N-dimethyl-3-N-(pyridin-4-ylmethyl)pyridine-3,4-diamine
CID 43678938
4-[[[4-(dimethylamino)-2-methoxy-3-pyridinyl]amino]methyl]benzonitrile
CID 43678951
3-N-[(3-chlorophenyl)methyl]-2-methoxy-4-N,4-N-dimethylpyridine-3,4-diamine
CID 43678976
2-methoxy-4-N,4-N-dimethyl-3-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridine-3,4-diamine
CID 43678884
3-N-[(4-bromo-5-methylthiophen-2-yl)methyl]-2-methoxy-4-N,4-N-dimethylpyridine-3,4-diamine
CID 102831966
2-chloro-6-[[[4-(dimethylamino)-2-methoxy-3-pyridinyl]amino]methyl]phenol
CID 115951113
6-methoxy-5-methyl-N-(1H-pyrazol-5-ylmethyl)pyrimidin-4-amine
CID 66327266
5-methoxy-N-(1H-pyrazol-5-ylmethyl)isoquinolin-1-amine
CID 106537946
2-methoxy-4-N,4-N-dimethyl-3-N-(3-methylbutan-2-yl)pyridine-3,4-diamine
CID 43678979
2-methoxy-3-N-(4-methoxy-4-methylpentan-2-yl)-4-N,4-N-dimethylpyridine-3,4-diamine
CID 43678871
3-N-heptan-4-yl-2-methoxy-4-N,4-N-dimethylpyridine-3,4-diamine
CID 43678972
2-methoxy-4-N,4-N-dimethyl-3-N-[(5-methyloxolan-2-yl)methyl]pyridine-3,4-diamine
CID 82834992

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-N,4-N-dimethyl-3-N-(1H-pyrazol-5-ylmethyl)pyridine-3,4-diamine?
The IUPAC name of 2-methoxy-4-N,4-N-dimethyl-3-N-(1H-pyrazol-5-ylmethyl)pyridine-3,4-diamine (CID 43679012) is 2-methoxy-4-N,4-N-dimethyl-3-N-(1H-pyrazol-5-ylmethyl)pyridine-3,4-diamine.
What is the SMILES notation for 2-methoxy-4-N,4-N-dimethyl-3-N-(1H-pyrazol-5-ylmethyl)pyridine-3,4-diamine?
The canonical SMILES for 2-methoxy-4-N,4-N-dimethyl-3-N-(1H-pyrazol-5-ylmethyl)pyridine-3,4-diamine is COc1nccc(N(C)C)c1NCc1ccn[nH]1.
What is the InChIKey of 2-methoxy-4-N,4-N-dimethyl-3-N-(1H-pyrazol-5-ylmethyl)pyridine-3,4-diamine?
The InChIKey is BUCJITXNMRKTHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O/c1-17(2)10-5-6-13-12(18-3)11(10)14-8-9-4-7-15-16-9/h4-7,14H,8H2,1-3H3,(H,15,16).
What are the key properties of 2-methoxy-4-N,4-N-dimethyl-3-N-(1H-pyrazol-5-ylmethyl)pyridine-3,4-diamine?
2-methoxy-4-N,4-N-dimethyl-3-N-(1H-pyrazol-5-ylmethyl)pyridine-3,4-diamine has a molecular weight of 247.30 g/mol, XLogP of 1.49, 5 rotatable bonds, 2 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-(1H-pyrazol-5-ylmethyl)pyridine-3,4-diamine is sourced from PubChem (CID 43679012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).