4,4-dimethyl-2-propan-2-yl-1H-pyrimidine

C9H16N2 — CID 123559590

IUPAC4,4-dimethyl-2-propan-2-yl-1H-pyrimidine
SMILESCC(C)C1=NC(C)(C)C=CN1
InChIInChI=1S/C9H16N2/c1-7(2)8-10-6-5-9(3,4)11-8/h5-7H,1-4H3,(H,10,11)
InChIKeyTYMYDMVGUHLTNS-UHFFFAOYSA-N
MW152.24 g/mol
LogP1.94
Rot. Bonds1

About 4,4-dimethyl-2-propan-2-yl-1H-pyrimidine

4,4-dimethyl-2-propan-2-yl-1H-pyrimidine (PubChem CID 123559590) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 4,4-dimethyl-2-propan-2-yl-1H-pyrimidine.

Molecular Properties

Compound Name4,4-dimethyl-2-propan-2-yl-1H-pyrimidine
PubChem CID123559590
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name4,4-dimethyl-2-propan-2-yl-1H-pyrimidine
SMILESCC(C)C1=NC(C)(C)C=CN1
InChIInChI=1S/C9H16N2/c1-7(2)8-10-6-5-9(3,4)11-8/h5-7H,1-4H3,(H,10,11)
InChIKeyTYMYDMVGUHLTNS-UHFFFAOYSA-N
XLogP1.94
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-2-propan-2-yl-1H-pyrimidine?
The IUPAC name of 4,4-dimethyl-2-propan-2-yl-1H-pyrimidine (CID 123559590) is 4,4-dimethyl-2-propan-2-yl-1H-pyrimidine.
What is the SMILES notation for 4,4-dimethyl-2-propan-2-yl-1H-pyrimidine?
The canonical SMILES for 4,4-dimethyl-2-propan-2-yl-1H-pyrimidine is CC(C)C1=NC(C)(C)C=CN1.
What is the InChIKey of 4,4-dimethyl-2-propan-2-yl-1H-pyrimidine?
The InChIKey is TYMYDMVGUHLTNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-7(2)8-10-6-5-9(3,4)11-8/h5-7H,1-4H3,(H,10,11).
What are the key properties of 4,4-dimethyl-2-propan-2-yl-1H-pyrimidine?
4,4-dimethyl-2-propan-2-yl-1H-pyrimidine has a molecular weight of 152.24 g/mol, XLogP of 1.94, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-2-propan-2-yl-1H-pyrimidine is sourced from PubChem (CID 123559590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).