4,6,6-trimethyl-1-propan-2-ylpyrimidine

C10H18N2 — CID 142450046

IUPAC4,6,6-trimethyl-1-propan-2-ylpyrimidine
SMILESCC1=CC(C)(C)N(C(C)C)C=N1
InChIInChI=1S/C10H18N2/c1-8(2)12-7-11-9(3)6-10(12,4)5/h6-8H,1-5H3
InChIKeyODSOAWOBBANCOI-UHFFFAOYSA-N
MW166.27 g/mol
LogP2.42
Rot. Bonds1

About 4,6,6-trimethyl-1-propan-2-ylpyrimidine

4,6,6-trimethyl-1-propan-2-ylpyrimidine (PubChem CID 142450046) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is 4,6,6-trimethyl-1-propan-2-ylpyrimidine.

Molecular Properties

Compound Name4,6,6-trimethyl-1-propan-2-ylpyrimidine
PubChem CID142450046
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name4,6,6-trimethyl-1-propan-2-ylpyrimidine
SMILESCC1=CC(C)(C)N(C(C)C)C=N1
InChIInChI=1S/C10H18N2/c1-8(2)12-7-11-9(3)6-10(12,4)5/h6-8H,1-5H3
InChIKeyODSOAWOBBANCOI-UHFFFAOYSA-N
XLogP2.42
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-fluoroethyl)-4,6-dimethyl-4H-pyrimidine
CID 144939804
3-ethyl-6-propyl-4H-pyrimidine
CID 53815368
2,3,4,6-tetramethyl-4H-pyrimidine
CID 57268687
1,6-ditert-butyl-4H-pyrimidine
CID 58300072
1,3-dimethyl-6-propan-2-yl-4H-pyrimidin-3-ium
CID 91197435
3,4,6-trimethyl-4H-pyrimidine
CID 122691160
6-ethyl-1,3,4-trimethyl-4H-pyrimidin-3-ium
CID 123248580
3-(cyclohepta-1,3,6-trien-1-ylmethyl)-6-methyl-4H-pyrimidine
CID 135258687
6-ethyl-3-methyl-4H-pyrimidine
CID 138546854
4-ethyl-2,3-dimethyl-6-propan-2-yl-4H-pyrimidine
CID 138714004
1,4,4,6-Tetramethylpyrimidine
CID 141913289
4-ethyl-3,6-dimethyl-4H-pyrimidine
CID 144625256

Frequently Asked Questions

What is the IUPAC name of 4,6,6-trimethyl-1-propan-2-ylpyrimidine?
The IUPAC name of 4,6,6-trimethyl-1-propan-2-ylpyrimidine (CID 142450046) is 4,6,6-trimethyl-1-propan-2-ylpyrimidine.
What is the SMILES notation for 4,6,6-trimethyl-1-propan-2-ylpyrimidine?
The canonical SMILES for 4,6,6-trimethyl-1-propan-2-ylpyrimidine is CC1=CC(C)(C)N(C(C)C)C=N1.
What is the InChIKey of 4,6,6-trimethyl-1-propan-2-ylpyrimidine?
The InChIKey is ODSOAWOBBANCOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2/c1-8(2)12-7-11-9(3)6-10(12,4)5/h6-8H,1-5H3.
What are the key properties of 4,6,6-trimethyl-1-propan-2-ylpyrimidine?
4,6,6-trimethyl-1-propan-2-ylpyrimidine has a molecular weight of 166.27 g/mol, XLogP of 2.42, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6,6-trimethyl-1-propan-2-ylpyrimidine is sourced from PubChem (CID 142450046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).