5-methyl-2-(4-methylidenecyclohexa-1,5-dien-1-yl)-1,2,5,6-tetrahydropyrimidine

C12H16N2 — CID 163622803

IUPAC5-methyl-2-(4-methylidenecyclohexa-1,5-dien-1-yl)-1,2,5,6-tetrahydropyrimidine
SMILESC=C1C=CC(C2N=CC(C)CN2)=CC1
InChIInChI=1S/C12H16N2/c1-9-3-5-11(6-4-9)12-13-7-10(2)8-14-12/h3,5-7,10,12,14H,1,4,8H2,2H3
InChIKeyHPOJHIYHRKUJJR-UHFFFAOYSA-N
MW188.27 g/mol
LogP2.07
Rot. Bonds1

About 5-methyl-2-(4-methylidenecyclohexa-1,5-dien-1-yl)-1,2,5,6-tetrahydropyrimidine

5-methyl-2-(4-methylidenecyclohexa-1,5-dien-1-yl)-1,2,5,6-tetrahydropyrimidine (PubChem CID 163622803) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 5-methyl-2-(4-methylidenecyclohexa-1,5-dien-1-yl)-1,2,5,6-tetrahydropyrimidine.

Molecular Properties

Compound Name5-methyl-2-(4-methylidenecyclohexa-1,5-dien-1-yl)-1,2,5,6-tetrahydropyrimidine
PubChem CID163622803
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC Name5-methyl-2-(4-methylidenecyclohexa-1,5-dien-1-yl)-1,2,5,6-tetrahydropyrimidine
SMILESC=C1C=CC(C2N=CC(C)CN2)=CC1
InChIInChI=1S/C12H16N2/c1-9-3-5-11(6-4-9)12-13-7-10(2)8-14-12/h3,5-7,10,12,14H,1,4,8H2,2H3
InChIKeyHPOJHIYHRKUJJR-UHFFFAOYSA-N
XLogP2.07
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(4-methylidenecyclohexa-1,5-dien-1-yl)-1,2,5,6-tetrahydropyrimidine?
The IUPAC name of 5-methyl-2-(4-methylidenecyclohexa-1,5-dien-1-yl)-1,2,5,6-tetrahydropyrimidine (CID 163622803) is 5-methyl-2-(4-methylidenecyclohexa-1,5-dien-1-yl)-1,2,5,6-tetrahydropyrimidine.
What is the SMILES notation for 5-methyl-2-(4-methylidenecyclohexa-1,5-dien-1-yl)-1,2,5,6-tetrahydropyrimidine?
The canonical SMILES for 5-methyl-2-(4-methylidenecyclohexa-1,5-dien-1-yl)-1,2,5,6-tetrahydropyrimidine is C=C1C=CC(C2N=CC(C)CN2)=CC1.
What is the InChIKey of 5-methyl-2-(4-methylidenecyclohexa-1,5-dien-1-yl)-1,2,5,6-tetrahydropyrimidine?
The InChIKey is HPOJHIYHRKUJJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2/c1-9-3-5-11(6-4-9)12-13-7-10(2)8-14-12/h3,5-7,10,12,14H,1,4,8H2,2H3.
What are the key properties of 5-methyl-2-(4-methylidenecyclohexa-1,5-dien-1-yl)-1,2,5,6-tetrahydropyrimidine?
5-methyl-2-(4-methylidenecyclohexa-1,5-dien-1-yl)-1,2,5,6-tetrahydropyrimidine has a molecular weight of 188.27 g/mol, XLogP of 2.07, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(4-methylidenecyclohexa-1,5-dien-1-yl)-1,2,5,6-tetrahydropyrimidine is sourced from PubChem (CID 163622803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).