4-(2,2-dimethylpropyl)-6-methylpyrimidine

C10H16N2 — CID 67153927

IUPAC4-(2,2-dimethylpropyl)-6-methylpyrimidine
SMILESCc1cc(CC(C)(C)C)ncn1
InChIInChI=1S/C10H16N2/c1-8-5-9(12-7-11-8)6-10(2,3)4/h5,7H,6H2,1-4H3
InChIKeyVXFRPDMHHFHDIZ-UHFFFAOYSA-N
MW164.25 g/mol
LogP2.37
Rot. Bonds1

About 4-(2,2-dimethylpropyl)-6-methylpyrimidine

4-(2,2-dimethylpropyl)-6-methylpyrimidine (PubChem CID 67153927) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is 4-(2,2-dimethylpropyl)-6-methylpyrimidine.

Molecular Properties

Compound Name4-(2,2-dimethylpropyl)-6-methylpyrimidine
PubChem CID67153927
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name4-(2,2-dimethylpropyl)-6-methylpyrimidine
SMILESCc1cc(CC(C)(C)C)ncn1
InChIInChI=1S/C10H16N2/c1-8-5-9(12-7-11-8)6-10(2,3)4/h5,7H,6H2,1-4H3
InChIKeyVXFRPDMHHFHDIZ-UHFFFAOYSA-N
XLogP2.37
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethylpropyl)-6-methylpyrimidine?
The IUPAC name of 4-(2,2-dimethylpropyl)-6-methylpyrimidine (CID 67153927) is 4-(2,2-dimethylpropyl)-6-methylpyrimidine.
What is the SMILES notation for 4-(2,2-dimethylpropyl)-6-methylpyrimidine?
The canonical SMILES for 4-(2,2-dimethylpropyl)-6-methylpyrimidine is Cc1cc(CC(C)(C)C)ncn1.
What is the InChIKey of 4-(2,2-dimethylpropyl)-6-methylpyrimidine?
The InChIKey is VXFRPDMHHFHDIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2/c1-8-5-9(12-7-11-8)6-10(2,3)4/h5,7H,6H2,1-4H3.
What are the key properties of 4-(2,2-dimethylpropyl)-6-methylpyrimidine?
4-(2,2-dimethylpropyl)-6-methylpyrimidine has a molecular weight of 164.25 g/mol, XLogP of 2.37, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylpropyl)-6-methylpyrimidine is sourced from PubChem (CID 67153927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).