(4E)-2,5-dimethyl-4-[(Z)-2-methylbut-2-enylidene]-5H-pyrimidine

C11H16N2 — CID 143569867

IUPAC(4E)-2,5-dimethyl-4-[(Z)-2-methylbut-2-enylidene]-5H-pyrimidine
SMILESC/C=C(C)\C=C1\N=C(C)N=CC1C
InChIInChI=1S/C11H16N2/c1-5-8(2)6-11-9(3)7-12-10(4)13-11/h5-7,9H,1-4H3/b8-5-,11-6+
InChIKeyIGRHLLYDWCREDB-CWQCMXISSA-N
MW176.26 g/mol
LogP2.98
Rot. Bonds1

About (4E)-2,5-dimethyl-4-[(Z)-2-methylbut-2-enylidene]-5H-pyrimidine

(4E)-2,5-dimethyl-4-[(Z)-2-methylbut-2-enylidene]-5H-pyrimidine (PubChem CID 143569867) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is (4E)-2,5-dimethyl-4-[(Z)-2-methylbut-2-enylidene]-5H-pyrimidine.

Molecular Properties

Compound Name(4E)-2,5-dimethyl-4-[(Z)-2-methylbut-2-enylidene]-5H-pyrimidine
PubChem CID143569867
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name(4E)-2,5-dimethyl-4-[(Z)-2-methylbut-2-enylidene]-5H-pyrimidine
SMILESC/C=C(C)\C=C1\N=C(C)N=CC1C
InChIInChI=1S/C11H16N2/c1-5-8(2)6-11-9(3)7-12-10(4)13-11/h5-7,9H,1-4H3/b8-5-,11-6+
InChIKeyIGRHLLYDWCREDB-CWQCMXISSA-N
XLogP2.98
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (4E)-2,5-dimethyl-4-[(Z)-2-methylbut-2-enylidene]-5H-pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,4-dimethyl-3H-pyrrole-5-carboxylic acid
CID 121359081
(2E,3Z)-3-ethylidene-4-methyl-2-[(Z)-2-methylbut-2-enylidene]-1H-pyrrole
CID 88538217
2,4,5-trimethyl-4,5-dihydropyrimidine
CID 59701015
4-[(Z)-2-methylbut-2-enylidene]cyclopentene
CID 143194573
(3Z,5E)-5-bromo-3-methylhepta-1,3,5-triene
CID 143591783
(1R,4S)-7-[(E)-2-methylbut-2-enylidene]-2,3-dioxabicyclo[2.2.1]heptane
CID 101416736
2,6-dimethyl-6H-1,3,5-diazaborepine
CID 142878469
1-fluoro-4-methylbenzene;(5E)-5-[(Z)-2-methylbut-2-enylidene]-6-methylidenepyrimidine-2,4-diamine
CID 143664251
ethane;(5E)-5-[(Z)-2-methylbut-2-enylidene]cyclohexa-1,3-diene
CID 143292269
5-methyl-2-[(E)-(3-methyl-3H-pyridin-4-ylidene)methyl]phenol
CID 169206900
(2Z)-3-tert-butyl-4-methyl-2-[(E)-2-methylbut-2-enylidene]pyran
CID 102331246
(3R,4R)-3,4,5-trimethyl-3,4-dihydropyrrol-2-one
CID 45092682

Frequently Asked Questions

What is the IUPAC name of (4E)-2,5-dimethyl-4-[(Z)-2-methylbut-2-enylidene]-5H-pyrimidine?
The IUPAC name of (4E)-2,5-dimethyl-4-[(Z)-2-methylbut-2-enylidene]-5H-pyrimidine (CID 143569867) is (4E)-2,5-dimethyl-4-[(Z)-2-methylbut-2-enylidene]-5H-pyrimidine.
What is the SMILES notation for (4E)-2,5-dimethyl-4-[(Z)-2-methylbut-2-enylidene]-5H-pyrimidine?
The canonical SMILES for (4E)-2,5-dimethyl-4-[(Z)-2-methylbut-2-enylidene]-5H-pyrimidine is C/C=C(C)\C=C1\N=C(C)N=CC1C.
What is the InChIKey of (4E)-2,5-dimethyl-4-[(Z)-2-methylbut-2-enylidene]-5H-pyrimidine?
The InChIKey is IGRHLLYDWCREDB-CWQCMXISSA-N. The full InChI is InChI=1S/C11H16N2/c1-5-8(2)6-11-9(3)7-12-10(4)13-11/h5-7,9H,1-4H3/b8-5-,11-6+.
What are the key properties of (4E)-2,5-dimethyl-4-[(Z)-2-methylbut-2-enylidene]-5H-pyrimidine?
(4E)-2,5-dimethyl-4-[(Z)-2-methylbut-2-enylidene]-5H-pyrimidine has a molecular weight of 176.26 g/mol, XLogP of 2.98, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-2,5-dimethyl-4-[(Z)-2-methylbut-2-enylidene]-5H-pyrimidine is sourced from PubChem (CID 143569867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).