2-ethenyl-1,4,6-trimethyl-5,6-dihydro-4H-pyrimidine

C9H16N2 — CID 22756043

IUPAC2-ethenyl-1,4,6-trimethyl-5,6-dihydro-4H-pyrimidine
SMILESC=CC1=NC(C)CC(C)N1C
InChIInChI=1S/C9H16N2/c1-5-9-10-7(2)6-8(3)11(9)4/h5,7-8H,1,6H2,2-4H3
InChIKeyOTLUXJPLMTWXRA-UHFFFAOYSA-N
MW152.24 g/mol
LogP1.68
Rot. Bonds1

About 2-ethenyl-1,4,6-trimethyl-5,6-dihydro-4H-pyrimidine

2-ethenyl-1,4,6-trimethyl-5,6-dihydro-4H-pyrimidine (PubChem CID 22756043) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 2-ethenyl-1,4,6-trimethyl-5,6-dihydro-4H-pyrimidine.

Molecular Properties

Compound Name2-ethenyl-1,4,6-trimethyl-5,6-dihydro-4H-pyrimidine
PubChem CID22756043
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name2-ethenyl-1,4,6-trimethyl-5,6-dihydro-4H-pyrimidine
SMILESC=CC1=NC(C)CC(C)N1C
InChIInChI=1S/C9H16N2/c1-5-9-10-7(2)6-8(3)11(9)4/h5,7-8H,1,6H2,2-4H3
InChIKeyOTLUXJPLMTWXRA-UHFFFAOYSA-N
XLogP1.68
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-1,4,6-trimethyl-5,6-dihydro-4H-pyrimidine?
The IUPAC name of 2-ethenyl-1,4,6-trimethyl-5,6-dihydro-4H-pyrimidine (CID 22756043) is 2-ethenyl-1,4,6-trimethyl-5,6-dihydro-4H-pyrimidine.
What is the SMILES notation for 2-ethenyl-1,4,6-trimethyl-5,6-dihydro-4H-pyrimidine?
The canonical SMILES for 2-ethenyl-1,4,6-trimethyl-5,6-dihydro-4H-pyrimidine is C=CC1=NC(C)CC(C)N1C.
What is the InChIKey of 2-ethenyl-1,4,6-trimethyl-5,6-dihydro-4H-pyrimidine?
The InChIKey is OTLUXJPLMTWXRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-5-9-10-7(2)6-8(3)11(9)4/h5,7-8H,1,6H2,2-4H3.
What are the key properties of 2-ethenyl-1,4,6-trimethyl-5,6-dihydro-4H-pyrimidine?
2-ethenyl-1,4,6-trimethyl-5,6-dihydro-4H-pyrimidine has a molecular weight of 152.24 g/mol, XLogP of 1.68, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-1,4,6-trimethyl-5,6-dihydro-4H-pyrimidine is sourced from PubChem (CID 22756043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).