5-tert-butyl-6-methylidene-4,5-dihydro-1H-pyrimidine

C9H16N2 — CID 58468581

IUPAC5-tert-butyl-6-methylidene-4,5-dihydro-1H-pyrimidine
SMILESC=C1NC=NCC1C(C)(C)C
InChIInChI=1S/C9H16N2/c1-7-8(9(2,3)4)5-10-6-11-7/h6,8H,1,5H2,2-4H3,(H,10,11)
InChIKeyOIZJNPDIAGTVCF-UHFFFAOYSA-N
MW152.24 g/mol
LogP1.79
Rot. Bonds

About 5-tert-butyl-6-methylidene-4,5-dihydro-1H-pyrimidine

5-tert-butyl-6-methylidene-4,5-dihydro-1H-pyrimidine (PubChem CID 58468581) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 5-tert-butyl-6-methylidene-4,5-dihydro-1H-pyrimidine.

Molecular Properties

Compound Name5-tert-butyl-6-methylidene-4,5-dihydro-1H-pyrimidine
PubChem CID58468581
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name5-tert-butyl-6-methylidene-4,5-dihydro-1H-pyrimidine
SMILESC=C1NC=NCC1C(C)(C)C
InChIInChI=1S/C9H16N2/c1-7-8(9(2,3)4)5-10-6-11-7/h6,8H,1,5H2,2-4H3,(H,10,11)
InChIKeyOIZJNPDIAGTVCF-UHFFFAOYSA-N
XLogP1.79
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-6-methylidene-4,5-dihydro-1H-pyrimidine?
The IUPAC name of 5-tert-butyl-6-methylidene-4,5-dihydro-1H-pyrimidine (CID 58468581) is 5-tert-butyl-6-methylidene-4,5-dihydro-1H-pyrimidine.
What is the SMILES notation for 5-tert-butyl-6-methylidene-4,5-dihydro-1H-pyrimidine?
The canonical SMILES for 5-tert-butyl-6-methylidene-4,5-dihydro-1H-pyrimidine is C=C1NC=NCC1C(C)(C)C.
What is the InChIKey of 5-tert-butyl-6-methylidene-4,5-dihydro-1H-pyrimidine?
The InChIKey is OIZJNPDIAGTVCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-7-8(9(2,3)4)5-10-6-11-7/h6,8H,1,5H2,2-4H3,(H,10,11).
What are the key properties of 5-tert-butyl-6-methylidene-4,5-dihydro-1H-pyrimidine?
5-tert-butyl-6-methylidene-4,5-dihydro-1H-pyrimidine has a molecular weight of 152.24 g/mol, XLogP of 1.79, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-6-methylidene-4,5-dihydro-1H-pyrimidine is sourced from PubChem (CID 58468581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).