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

C6H12N2 — CID 123968226

IUPAC1,4-dimethyl-5,6-dihydro-4H-pyrimidine
SMILESCC1CCN(C)C=N1
InChIInChI=1S/C6H12N2/c1-6-3-4-8(2)5-7-6/h5-6H,3-4H2,1-2H3
InChIKeyXEROCOWERDKFKM-UHFFFAOYSA-N
MW112.18 g/mol
LogP0.74
Rot. Bonds

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

1,4-dimethyl-5,6-dihydro-4H-pyrimidine (PubChem CID 123968226) has the molecular formula C6H12N2 and a molecular weight of 112.18 g/mol. Its IUPAC name is 1,4-dimethyl-5,6-dihydro-4H-pyrimidine.

Molecular Properties

Compound Name1,4-dimethyl-5,6-dihydro-4H-pyrimidine
PubChem CID123968226
Molecular FormulaC6H12N2
Molecular Weight112.18 g/mol
Exact Mass112.10
IUPAC Name1,4-dimethyl-5,6-dihydro-4H-pyrimidine
SMILESCC1CCN(C)C=N1
InChIInChI=1S/C6H12N2/c1-6-3-4-8(2)5-7-6/h5-6H,3-4H2,1-2H3
InChIKeyXEROCOWERDKFKM-UHFFFAOYSA-N
XLogP0.74
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.18
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-5,6-dihydro-4H-pyrimidine?
The IUPAC name of 1,4-dimethyl-5,6-dihydro-4H-pyrimidine (CID 123968226) is 1,4-dimethyl-5,6-dihydro-4H-pyrimidine.
What is the SMILES notation for 1,4-dimethyl-5,6-dihydro-4H-pyrimidine?
The canonical SMILES for 1,4-dimethyl-5,6-dihydro-4H-pyrimidine is CC1CCN(C)C=N1.
What is the InChIKey of 1,4-dimethyl-5,6-dihydro-4H-pyrimidine?
The InChIKey is XEROCOWERDKFKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2/c1-6-3-4-8(2)5-7-6/h5-6H,3-4H2,1-2H3.
What are the key properties of 1,4-dimethyl-5,6-dihydro-4H-pyrimidine?
1,4-dimethyl-5,6-dihydro-4H-pyrimidine has a molecular weight of 112.18 g/mol, XLogP of 0.74, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-5,6-dihydro-4H-pyrimidine is sourced from PubChem (CID 123968226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).