2-N-ethyl-4-N-(5-methoxy-1-methylpyrazol-3-yl)pyridine-2,4-diamine

C12H17N5O — CID 114256677

IUPAC2-N-ethyl-4-N-(5-methoxy-1-methylpyrazol-3-yl)pyridine-2,4-diamine
SMILESCCNc1cc(Nc2cc(OC)n(C)n2)ccn1
InChIInChI=1S/C12H17N5O/c1-4-13-10-7-9(5-6-14-10)15-11-8-12(18-3)17(2)16-11/h5-8H,4H2,1-3H3,(H2,13,14,15,16)
InChIKeyHKQOKZMDJNKZDW-UHFFFAOYSA-N
MW247.30 g/mol
LogP2.00
Rot. Bonds5

About 2-N-ethyl-4-N-(5-methoxy-1-methylpyrazol-3-yl)pyridine-2,4-diamine

2-N-ethyl-4-N-(5-methoxy-1-methylpyrazol-3-yl)pyridine-2,4-diamine (PubChem CID 114256677) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is 2-N-ethyl-4-N-(5-methoxy-1-methylpyrazol-3-yl)pyridine-2,4-diamine.

Molecular Properties

Compound Name2-N-ethyl-4-N-(5-methoxy-1-methylpyrazol-3-yl)pyridine-2,4-diamine
PubChem CID114256677
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC Name2-N-ethyl-4-N-(5-methoxy-1-methylpyrazol-3-yl)pyridine-2,4-diamine
SMILESCCNc1cc(Nc2cc(OC)n(C)n2)ccn1
InChIInChI=1S/C12H17N5O/c1-4-13-10-7-9(5-6-14-10)15-11-8-12(18-3)17(2)16-11/h5-8H,4H2,1-3H3,(H2,13,14,15,16)
InChIKeyHKQOKZMDJNKZDW-UHFFFAOYSA-N
XLogP2.00
TPSA64.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-N-ethyl-4-N-(4-fluoro-3-methoxyphenyl)pyridine-2,4-diamine
CID 114841089
2-N-ethyl-4-N-[(2-methylpyrazol-3-yl)methyl]pyridine-2,4-diamine
CID 113367828
N-(1-butylimidazol-2-yl)-5-methoxy-1-methylpyrazol-3-amine
CID 114256729
4-[[2-(ethylamino)-4-pyridinyl]amino]benzonitrile
CID 113367461
2-N-ethyl-4-N-[2-(2-methoxyphenyl)ethyl]pyridine-2,4-diamine
CID 106262665
5-methoxy-1-methyl-N-[1-(2-methylpropyl)imidazol-2-yl]pyrazol-3-amine
CID 114256725
N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]-2-methylpyrimidin-4-amine
CID 114256795
6-methoxy-2-N-(5-methoxy-1-methylpyrazol-3-yl)pyridine-2,5-diamine
CID 114255367
methyl 2-[[2-(ethylamino)-4-pyridinyl]amino]-3-methylbutanoate
CID 113367704
6-N-ethyl-4-N-pyridin-4-ylpyrimidine-4,6-diamine
CID 115265643
3-chloro-1-N-(5-methoxy-1-methylpyrazol-3-yl)benzene-1,2-diamine
CID 114255384
2-N-ethyl-4-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyridine-2,4-diamine
CID 106411583

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-4-N-(5-methoxy-1-methylpyrazol-3-yl)pyridine-2,4-diamine?
The IUPAC name of 2-N-ethyl-4-N-(5-methoxy-1-methylpyrazol-3-yl)pyridine-2,4-diamine (CID 114256677) is 2-N-ethyl-4-N-(5-methoxy-1-methylpyrazol-3-yl)pyridine-2,4-diamine.
What is the SMILES notation for 2-N-ethyl-4-N-(5-methoxy-1-methylpyrazol-3-yl)pyridine-2,4-diamine?
The canonical SMILES for 2-N-ethyl-4-N-(5-methoxy-1-methylpyrazol-3-yl)pyridine-2,4-diamine is CCNc1cc(Nc2cc(OC)n(C)n2)ccn1.
What is the InChIKey of 2-N-ethyl-4-N-(5-methoxy-1-methylpyrazol-3-yl)pyridine-2,4-diamine?
The InChIKey is HKQOKZMDJNKZDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O/c1-4-13-10-7-9(5-6-14-10)15-11-8-12(18-3)17(2)16-11/h5-8H,4H2,1-3H3,(H2,13,14,15,16).
What are the key properties of 2-N-ethyl-4-N-(5-methoxy-1-methylpyrazol-3-yl)pyridine-2,4-diamine?
2-N-ethyl-4-N-(5-methoxy-1-methylpyrazol-3-yl)pyridine-2,4-diamine has a molecular weight of 247.30 g/mol, XLogP of 2.00, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-4-N-(5-methoxy-1-methylpyrazol-3-yl)pyridine-2,4-diamine is sourced from PubChem (CID 114256677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).