3,6-dimethyl-2,6-dihydro-1H-pyrimidine

C6H12N2 — CID 67594906

IUPAC3,6-dimethyl-2,6-dihydro-1H-pyrimidine
SMILESCC1C=CN(C)CN1
InChIInChI=1S/C6H12N2/c1-6-3-4-8(2)5-7-6/h3-4,6-7H,5H2,1-2H3
InChIKeySRLYVSXCSGSTNF-UHFFFAOYSA-N
MW112.18 g/mol
LogP0.38
Rot. Bonds

About 3,6-dimethyl-2,6-dihydro-1H-pyrimidine

3,6-dimethyl-2,6-dihydro-1H-pyrimidine (PubChem CID 67594906) has the molecular formula C6H12N2 and a molecular weight of 112.18 g/mol. Its IUPAC name is 3,6-dimethyl-2,6-dihydro-1H-pyrimidine.

Molecular Properties

Compound Name3,6-dimethyl-2,6-dihydro-1H-pyrimidine
PubChem CID67594906
Molecular FormulaC6H12N2
Molecular Weight112.18 g/mol
Exact Mass112.10
IUPAC Name3,6-dimethyl-2,6-dihydro-1H-pyrimidine
SMILESCC1C=CN(C)CN1
InChIInChI=1S/C6H12N2/c1-6-3-4-8(2)5-7-6/h3-4,6-7H,5H2,1-2H3
InChIKeySRLYVSXCSGSTNF-UHFFFAOYSA-N
XLogP0.38
TPSA15.27 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 ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-2,6-dihydro-1H-pyrimidine?
The IUPAC name of 3,6-dimethyl-2,6-dihydro-1H-pyrimidine (CID 67594906) is 3,6-dimethyl-2,6-dihydro-1H-pyrimidine.
What is the SMILES notation for 3,6-dimethyl-2,6-dihydro-1H-pyrimidine?
The canonical SMILES for 3,6-dimethyl-2,6-dihydro-1H-pyrimidine is CC1C=CN(C)CN1.
What is the InChIKey of 3,6-dimethyl-2,6-dihydro-1H-pyrimidine?
The InChIKey is SRLYVSXCSGSTNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2/c1-6-3-4-8(2)5-7-6/h3-4,6-7H,5H2,1-2H3.
What are the key properties of 3,6-dimethyl-2,6-dihydro-1H-pyrimidine?
3,6-dimethyl-2,6-dihydro-1H-pyrimidine has a molecular weight of 112.18 g/mol, XLogP of 0.38, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-2,6-dihydro-1H-pyrimidine is sourced from PubChem (CID 67594906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).