5,5-dimethyl-4,6-dihydro-1H-pyrimidine

C6H12N2 — CID 15445426

IUPAC5,5-dimethyl-4,6-dihydro-1H-pyrimidine
SMILESCC1(C)CN=CNC1
InChIInChI=1S/C6H12N2/c1-6(2)3-7-5-8-4-6/h5H,3-4H2,1-2H3,(H,7,8)
InChIKeyMKJYRLKIPFOBEH-UHFFFAOYSA-N
MW112.18 g/mol
LogP0.64
Rot. Bonds

About 5,5-dimethyl-4,6-dihydro-1H-pyrimidine

5,5-dimethyl-4,6-dihydro-1H-pyrimidine (PubChem CID 15445426) has the molecular formula C6H12N2 and a molecular weight of 112.18 g/mol. Its IUPAC name is 5,5-dimethyl-4,6-dihydro-1H-pyrimidine.

Molecular Properties

Compound Name5,5-dimethyl-4,6-dihydro-1H-pyrimidine
PubChem CID15445426
Molecular FormulaC6H12N2
Molecular Weight112.18 g/mol
Exact Mass112.10
IUPAC Name5,5-dimethyl-4,6-dihydro-1H-pyrimidine
SMILESCC1(C)CN=CNC1
InChIInChI=1S/C6H12N2/c1-6(2)3-7-5-8-4-6/h5H,3-4H2,1-2H3,(H,7,8)
InChIKeyMKJYRLKIPFOBEH-UHFFFAOYSA-N
XLogP0.64
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.18
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-4,6-dihydro-1H-pyrimidine?
The IUPAC name of 5,5-dimethyl-4,6-dihydro-1H-pyrimidine (CID 15445426) is 5,5-dimethyl-4,6-dihydro-1H-pyrimidine.
What is the SMILES notation for 5,5-dimethyl-4,6-dihydro-1H-pyrimidine?
The canonical SMILES for 5,5-dimethyl-4,6-dihydro-1H-pyrimidine is CC1(C)CN=CNC1.
What is the InChIKey of 5,5-dimethyl-4,6-dihydro-1H-pyrimidine?
The InChIKey is MKJYRLKIPFOBEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2/c1-6(2)3-7-5-8-4-6/h5H,3-4H2,1-2H3,(H,7,8).
What are the key properties of 5,5-dimethyl-4,6-dihydro-1H-pyrimidine?
5,5-dimethyl-4,6-dihydro-1H-pyrimidine has a molecular weight of 112.18 g/mol, XLogP of 0.64, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-4,6-dihydro-1H-pyrimidine is sourced from PubChem (CID 15445426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).