6-(2,2-dimethylpropyl)-1,2-dihydropyrimidine

C9H16N2 — CID 138580546

IUPAC6-(2,2-dimethylpropyl)-1,2-dihydropyrimidine
SMILESCC(C)(C)CC1=CC=NCN1
InChIInChI=1S/C9H16N2/c1-9(2,3)6-8-4-5-10-7-11-8/h4-5,11H,6-7H2,1-3H3
InChIKeyXTJPJWFNTLJBNE-UHFFFAOYSA-N
MW152.24 g/mol
LogP1.94
Rot. Bonds1

About 6-(2,2-dimethylpropyl)-1,2-dihydropyrimidine

6-(2,2-dimethylpropyl)-1,2-dihydropyrimidine (PubChem CID 138580546) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 6-(2,2-dimethylpropyl)-1,2-dihydropyrimidine.

Molecular Properties

Compound Name6-(2,2-dimethylpropyl)-1,2-dihydropyrimidine
PubChem CID138580546
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name6-(2,2-dimethylpropyl)-1,2-dihydropyrimidine
SMILESCC(C)(C)CC1=CC=NCN1
InChIInChI=1S/C9H16N2/c1-9(2,3)6-8-4-5-10-7-11-8/h4-5,11H,6-7H2,1-3H3
InChIKeyXTJPJWFNTLJBNE-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 6-(2,2-dimethylpropyl)-1,2-dihydropyrimidine?
The IUPAC name of 6-(2,2-dimethylpropyl)-1,2-dihydropyrimidine (CID 138580546) is 6-(2,2-dimethylpropyl)-1,2-dihydropyrimidine.
What is the SMILES notation for 6-(2,2-dimethylpropyl)-1,2-dihydropyrimidine?
The canonical SMILES for 6-(2,2-dimethylpropyl)-1,2-dihydropyrimidine is CC(C)(C)CC1=CC=NCN1.
What is the InChIKey of 6-(2,2-dimethylpropyl)-1,2-dihydropyrimidine?
The InChIKey is XTJPJWFNTLJBNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-9(2,3)6-8-4-5-10-7-11-8/h4-5,11H,6-7H2,1-3H3.
What are the key properties of 6-(2,2-dimethylpropyl)-1,2-dihydropyrimidine?
6-(2,2-dimethylpropyl)-1,2-dihydropyrimidine 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 6-(2,2-dimethylpropyl)-1,2-dihydropyrimidine is sourced from PubChem (CID 138580546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).