(2E)-1,3-dimethyl-2-[(4E)-4-methylhexa-1,4-dien-3-ylidene]-4H-pyrimidine

C13H20N2 — CID 134594210

IUPAC(2E)-1,3-dimethyl-2-[(4E)-4-methylhexa-1,4-dien-3-ylidene]-4H-pyrimidine
SMILESC=CC(/C(C)=C/C)=C1\N(C)C=CCN1C
InChIInChI=1S/C13H20N2/c1-6-11(3)12(7-2)13-14(4)9-8-10-15(13)5/h6-9H,2,10H2,1,3-5H3/b11-6+,13-12-
InChIKeyMTOJQNSQDHDUBA-SJYPEPLSSA-N
MW204.32 g/mol
LogP2.74
Rot. Bonds2

About (2E)-1,3-dimethyl-2-[(4E)-4-methylhexa-1,4-dien-3-ylidene]-4H-pyrimidine

(2E)-1,3-dimethyl-2-[(4E)-4-methylhexa-1,4-dien-3-ylidene]-4H-pyrimidine (PubChem CID 134594210) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is (2E)-1,3-dimethyl-2-[(4E)-4-methylhexa-1,4-dien-3-ylidene]-4H-pyrimidine.

Molecular Properties

Compound Name(2E)-1,3-dimethyl-2-[(4E)-4-methylhexa-1,4-dien-3-ylidene]-4H-pyrimidine
PubChem CID134594210
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name(2E)-1,3-dimethyl-2-[(4E)-4-methylhexa-1,4-dien-3-ylidene]-4H-pyrimidine
SMILESC=CC(/C(C)=C/C)=C1\N(C)C=CCN1C
InChIInChI=1S/C13H20N2/c1-6-11(3)12(7-2)13-14(4)9-8-10-15(13)5/h6-9H,2,10H2,1,3-5H3/b11-6+,13-12-
InChIKeyMTOJQNSQDHDUBA-SJYPEPLSSA-N
XLogP2.74
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (2E)-1,3-dimethyl-2-[(4E)-4-methylhexa-1,4-dien-3-ylidene]-4H-pyrimidine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2E)-1,3-dimethyl-2-[(4E)-4-methylhexa-1,4-dien-3-ylidene]-4H-pyrimidine?
The IUPAC name of (2E)-1,3-dimethyl-2-[(4E)-4-methylhexa-1,4-dien-3-ylidene]-4H-pyrimidine (CID 134594210) is (2E)-1,3-dimethyl-2-[(4E)-4-methylhexa-1,4-dien-3-ylidene]-4H-pyrimidine.
What is the SMILES notation for (2E)-1,3-dimethyl-2-[(4E)-4-methylhexa-1,4-dien-3-ylidene]-4H-pyrimidine?
The canonical SMILES for (2E)-1,3-dimethyl-2-[(4E)-4-methylhexa-1,4-dien-3-ylidene]-4H-pyrimidine is C=CC(/C(C)=C/C)=C1\N(C)C=CCN1C.
What is the InChIKey of (2E)-1,3-dimethyl-2-[(4E)-4-methylhexa-1,4-dien-3-ylidene]-4H-pyrimidine?
The InChIKey is MTOJQNSQDHDUBA-SJYPEPLSSA-N. The full InChI is InChI=1S/C13H20N2/c1-6-11(3)12(7-2)13-14(4)9-8-10-15(13)5/h6-9H,2,10H2,1,3-5H3/b11-6+,13-12-.
What are the key properties of (2E)-1,3-dimethyl-2-[(4E)-4-methylhexa-1,4-dien-3-ylidene]-4H-pyrimidine?
(2E)-1,3-dimethyl-2-[(4E)-4-methylhexa-1,4-dien-3-ylidene]-4H-pyrimidine has a molecular weight of 204.32 g/mol, XLogP of 2.74, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-1,3-dimethyl-2-[(4E)-4-methylhexa-1,4-dien-3-ylidene]-4H-pyrimidine is sourced from PubChem (CID 134594210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).