(5Z)-N-ethenyl-2-methyl-5-(2-methylpropylidene)pyrimidin-4-imine

C11H15N3 — CID 134242605

IUPAC(5Z)-N-ethenyl-2-methyl-5-(2-methylpropylidene)pyrimidin-4-imine
SMILESC=C/N=C1\N=C(C)N=C\C1=C\C(C)C
InChIInChI=1S/C11H15N3/c1-5-12-11-10(6-8(2)3)7-13-9(4)14-11/h5-8H,1H2,2-4H3/b10-6-,12-11-
InChIKeyGPTABRAOOYZCIX-RCGVWGGBSA-N
MW189.26 g/mol
LogP2.61
Rot. Bonds2

About (5Z)-N-ethenyl-2-methyl-5-(2-methylpropylidene)pyrimidin-4-imine

(5Z)-N-ethenyl-2-methyl-5-(2-methylpropylidene)pyrimidin-4-imine (PubChem CID 134242605) has the molecular formula C11H15N3 and a molecular weight of 189.26 g/mol. Its IUPAC name is (5Z)-N-ethenyl-2-methyl-5-(2-methylpropylidene)pyrimidin-4-imine.

Molecular Properties

Compound Name(5Z)-N-ethenyl-2-methyl-5-(2-methylpropylidene)pyrimidin-4-imine
PubChem CID134242605
Molecular FormulaC11H15N3
Molecular Weight189.26 g/mol
Exact Mass189.13
IUPAC Name(5Z)-N-ethenyl-2-methyl-5-(2-methylpropylidene)pyrimidin-4-imine
SMILESC=C/N=C1\N=C(C)N=C\C1=C\C(C)C
InChIInChI=1S/C11H15N3/c1-5-12-11-10(6-8(2)3)7-13-9(4)14-11/h5-8H,1H2,2-4H3/b10-6-,12-11-
InChIKeyGPTABRAOOYZCIX-RCGVWGGBSA-N
XLogP2.61
TPSA37.08 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

3aH-pyrrolo[2,3-b]pyridine
CID 58286487
(3Z)-3-ethylidene-N-methylpyridin-2-imine
CID 68010675
N',3-dimethyl-N-methylidene-2,3-dihydropyridine-5-carboximidamide
CID 68309209
(3Z)-3-ethylidene-N-[(Z)-3-methylbut-1-enyl]pyridin-2-imine
CID 70306674
6,6-Dimethylpyrimido[4,5-b]azepine
CID 70324931
2-methyl-N'-[(Z)-prop-1-enyl]-N-prop-2-enylideneprop-2-enimidamide
CID 89278504
N,4-dimethyl-3H-pyridin-6-imine
CID 123755468
N-[(Z)-2-[(5Z,7Z)-6-methyl-9-methylidene-4H-1,3-diazecin-5-yl]ethenyl]methanimine
CID 130294574
2,6-dimethyl-6H-pyrimido[4,5-c]azepine
CID 134242600
5-propan-2-yl-N-[(Z)-prop-1-enyl]-3H-pyridin-2-imine
CID 138532994
2,5,11-Triazabicyclo[5.4.0]undeca-1,3,4,6,8,10-hexaene
CID 138606329
3-Methyl-4-methylidenepyrrolo[2,3-b]pyridine
CID 140956214

Frequently Asked Questions

What is the IUPAC name of (5Z)-N-ethenyl-2-methyl-5-(2-methylpropylidene)pyrimidin-4-imine?
The IUPAC name of (5Z)-N-ethenyl-2-methyl-5-(2-methylpropylidene)pyrimidin-4-imine (CID 134242605) is (5Z)-N-ethenyl-2-methyl-5-(2-methylpropylidene)pyrimidin-4-imine.
What is the SMILES notation for (5Z)-N-ethenyl-2-methyl-5-(2-methylpropylidene)pyrimidin-4-imine?
The canonical SMILES for (5Z)-N-ethenyl-2-methyl-5-(2-methylpropylidene)pyrimidin-4-imine is C=C/N=C1\N=C(C)N=C\C1=C\C(C)C.
What is the InChIKey of (5Z)-N-ethenyl-2-methyl-5-(2-methylpropylidene)pyrimidin-4-imine?
The InChIKey is GPTABRAOOYZCIX-RCGVWGGBSA-N. The full InChI is InChI=1S/C11H15N3/c1-5-12-11-10(6-8(2)3)7-13-9(4)14-11/h5-8H,1H2,2-4H3/b10-6-,12-11-.
What are the key properties of (5Z)-N-ethenyl-2-methyl-5-(2-methylpropylidene)pyrimidin-4-imine?
(5Z)-N-ethenyl-2-methyl-5-(2-methylpropylidene)pyrimidin-4-imine has a molecular weight of 189.26 g/mol, XLogP of 2.61, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-N-ethenyl-2-methyl-5-(2-methylpropylidene)pyrimidin-4-imine is sourced from PubChem (CID 134242605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).