4,4-dimethyl-1H-pyrimidine

C6H10N2 — CID 57075565

IUPAC4,4-dimethyl-1H-pyrimidine
SMILESCC1(C)C=CNC=N1
InChIInChI=1S/C6H10N2/c1-6(2)3-4-7-5-8-6/h3-5H,1-2H3,(H,7,8)
InChIKeyCUNVOWPIBTYIKD-UHFFFAOYSA-N
MW110.16 g/mol
LogP0.91
Rot. Bonds

About 4,4-dimethyl-1H-pyrimidine

4,4-dimethyl-1H-pyrimidine (PubChem CID 57075565) has the molecular formula C6H10N2 and a molecular weight of 110.16 g/mol. Its IUPAC name is 4,4-dimethyl-1H-pyrimidine.

Molecular Properties

Compound Name4,4-dimethyl-1H-pyrimidine
PubChem CID57075565
Molecular FormulaC6H10N2
Molecular Weight110.16 g/mol
Exact Mass110.08
IUPAC Name4,4-dimethyl-1H-pyrimidine
SMILESCC1(C)C=CNC=N1
InChIInChI=1S/C6H10N2/c1-6(2)3-4-7-5-8-6/h3-5H,1-2H3,(H,7,8)
InChIKeyCUNVOWPIBTYIKD-UHFFFAOYSA-N
XLogP0.91
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.16
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1H-pyrimidine?
The IUPAC name of 4,4-dimethyl-1H-pyrimidine (CID 57075565) is 4,4-dimethyl-1H-pyrimidine.
What is the SMILES notation for 4,4-dimethyl-1H-pyrimidine?
The canonical SMILES for 4,4-dimethyl-1H-pyrimidine is CC1(C)C=CNC=N1.
What is the InChIKey of 4,4-dimethyl-1H-pyrimidine?
The InChIKey is CUNVOWPIBTYIKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2/c1-6(2)3-4-7-5-8-6/h3-5H,1-2H3,(H,7,8).
What are the key properties of 4,4-dimethyl-1H-pyrimidine?
4,4-dimethyl-1H-pyrimidine has a molecular weight of 110.16 g/mol, XLogP of 0.91, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1H-pyrimidine is sourced from PubChem (CID 57075565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).