3,4,6-trimethyl-2,6-dihydro-1H-pyrimidine

C7H14N2 — CID 166735939

IUPAC3,4,6-trimethyl-2,6-dihydro-1H-pyrimidine
SMILESCC1=CC(C)NCN1C
InChIInChI=1S/C7H14N2/c1-6-4-7(2)9(3)5-8-6/h4,6,8H,5H2,1-3H3
InChIKeyMNMZTFOGRHQRTN-UHFFFAOYSA-N
MW126.20 g/mol
LogP0.77
Rot. Bonds

About 3,4,6-trimethyl-2,6-dihydro-1H-pyrimidine

3,4,6-trimethyl-2,6-dihydro-1H-pyrimidine (PubChem CID 166735939) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is 3,4,6-trimethyl-2,6-dihydro-1H-pyrimidine.

Molecular Properties

Compound Name3,4,6-trimethyl-2,6-dihydro-1H-pyrimidine
PubChem CID166735939
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC Name3,4,6-trimethyl-2,6-dihydro-1H-pyrimidine
SMILESCC1=CC(C)NCN1C
InChIInChI=1S/C7H14N2/c1-6-4-7(2)9(3)5-8-6/h4,6,8H,5H2,1-3H3
InChIKeyMNMZTFOGRHQRTN-UHFFFAOYSA-N
XLogP0.77
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4,6-trimethyl-2,6-dihydro-1H-pyrimidine?
The IUPAC name of 3,4,6-trimethyl-2,6-dihydro-1H-pyrimidine (CID 166735939) is 3,4,6-trimethyl-2,6-dihydro-1H-pyrimidine.
What is the SMILES notation for 3,4,6-trimethyl-2,6-dihydro-1H-pyrimidine?
The canonical SMILES for 3,4,6-trimethyl-2,6-dihydro-1H-pyrimidine is CC1=CC(C)NCN1C.
What is the InChIKey of 3,4,6-trimethyl-2,6-dihydro-1H-pyrimidine?
The InChIKey is MNMZTFOGRHQRTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2/c1-6-4-7(2)9(3)5-8-6/h4,6,8H,5H2,1-3H3.
What are the key properties of 3,4,6-trimethyl-2,6-dihydro-1H-pyrimidine?
3,4,6-trimethyl-2,6-dihydro-1H-pyrimidine has a molecular weight of 126.20 g/mol, XLogP of 0.77, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,6-trimethyl-2,6-dihydro-1H-pyrimidine is sourced from PubChem (CID 166735939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).