2-[[2-(4-methoxypyrimidin-2-yl)hydrazinyl]methylidene]propanedinitrile

C9H8N6O — CID 39322151

IUPAC2-[[2-(4-methoxypyrimidin-2-yl)hydrazinyl]methylidene]propanedinitrile
SMILESCOc1ccnc(NNC=C(C#N)C#N)n1
InChIInChI=1S/C9H8N6O/c1-16-8-2-3-12-9(14-8)15-13-6-7(4-10)5-11/h2-3,6,13H,1H3,(H,12,14,15)
InChIKeyKCBUOEQVSZSFEI-UHFFFAOYSA-N
MW216.20 g/mol
LogP0.33
Rot. Bonds4

About 2-[[2-(4-methoxypyrimidin-2-yl)hydrazinyl]methylidene]propanedinitrile

2-[[2-(4-methoxypyrimidin-2-yl)hydrazinyl]methylidene]propanedinitrile (PubChem CID 39322151) has the molecular formula C9H8N6O and a molecular weight of 216.20 g/mol. Its IUPAC name is 2-[[2-(4-methoxypyrimidin-2-yl)hydrazinyl]methylidene]propanedinitrile.

Molecular Properties

Compound Name2-[[2-(4-methoxypyrimidin-2-yl)hydrazinyl]methylidene]propanedinitrile
PubChem CID39322151
Molecular FormulaC9H8N6O
Molecular Weight216.20 g/mol
Exact Mass216.08
IUPAC Name2-[[2-(4-methoxypyrimidin-2-yl)hydrazinyl]methylidene]propanedinitrile
SMILESCOc1ccnc(NNC=C(C#N)C#N)n1
InChIInChI=1S/C9H8N6O/c1-16-8-2-3-12-9(14-8)15-13-6-7(4-10)5-11/h2-3,6,13H,1H3,(H,12,14,15)
InChIKeyKCBUOEQVSZSFEI-UHFFFAOYSA-N
XLogP0.33
TPSA106.65 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.20
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-4-methoxypyrimidin-2-amine
CID 20510275
4-methoxy-N-[(E)-pent-3-enyl]pyrimidin-2-amine
CID 115628502
2-[[(1-methoxyisoquinolin-7-yl)amino]methylidene]propanedinitrile
CID 168543664
2-N-(4-methoxypyrimidin-2-yl)-3-methyliminoprop-1-ene-1,2-diamine
CID 167589522
1-[(4-methoxypyrimidin-2-yl)amino]pentan-3-ol
CID 115702045
ethyl 2-[(4-methoxypyrimidin-2-yl)amino]acetate
CID 55207180
2-[(4-methoxypyrimidin-2-yl)amino]butan-1-ol
CID 112683347
N-but-3-ynyl-4-methoxypyrimidin-2-amine
CID 112690842
N-(cyclopentylmethyl)-4-methoxypyrimidin-2-amine
CID 112684482
4-methoxy-N-(2-methoxy-2-methylpropyl)pyrimidin-2-amine
CID 115658463
N-(2,2-difluoropropyl)-4-methoxypyrimidin-2-amine
CID 131107592
4-N-(4-methoxypyrimidin-2-yl)benzene-1,4-diamine
CID 63214957

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-methoxypyrimidin-2-yl)hydrazinyl]methylidene]propanedinitrile?
The IUPAC name of 2-[[2-(4-methoxypyrimidin-2-yl)hydrazinyl]methylidene]propanedinitrile (CID 39322151) is 2-[[2-(4-methoxypyrimidin-2-yl)hydrazinyl]methylidene]propanedinitrile.
What is the SMILES notation for 2-[[2-(4-methoxypyrimidin-2-yl)hydrazinyl]methylidene]propanedinitrile?
The canonical SMILES for 2-[[2-(4-methoxypyrimidin-2-yl)hydrazinyl]methylidene]propanedinitrile is COc1ccnc(NNC=C(C#N)C#N)n1.
What is the InChIKey of 2-[[2-(4-methoxypyrimidin-2-yl)hydrazinyl]methylidene]propanedinitrile?
The InChIKey is KCBUOEQVSZSFEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N6O/c1-16-8-2-3-12-9(14-8)15-13-6-7(4-10)5-11/h2-3,6,13H,1H3,(H,12,14,15).
What are the key properties of 2-[[2-(4-methoxypyrimidin-2-yl)hydrazinyl]methylidene]propanedinitrile?
2-[[2-(4-methoxypyrimidin-2-yl)hydrazinyl]methylidene]propanedinitrile has a molecular weight of 216.20 g/mol, XLogP of 0.33, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-methoxypyrimidin-2-yl)hydrazinyl]methylidene]propanedinitrile is sourced from PubChem (CID 39322151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).