2-(2,2-dimethylpropyl)-1,4-dihydropyrimidine

C9H16N2 — CID 155051813

IUPAC2-(2,2-dimethylpropyl)-1,4-dihydropyrimidine
SMILESCC(C)(C)CC1=NCC=CN1
InChIInChI=1S/C9H16N2/c1-9(2,3)7-8-10-5-4-6-11-8/h4-5H,6-7H2,1-3H3,(H,10,11)
InChIKeyIDRIDYDFXGVMIG-UHFFFAOYSA-N
MW152.24 g/mol
LogP1.94
Rot. Bonds1

About 2-(2,2-dimethylpropyl)-1,4-dihydropyrimidine

2-(2,2-dimethylpropyl)-1,4-dihydropyrimidine (PubChem CID 155051813) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 2-(2,2-dimethylpropyl)-1,4-dihydropyrimidine.

Molecular Properties

Compound Name2-(2,2-dimethylpropyl)-1,4-dihydropyrimidine
PubChem CID155051813
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name2-(2,2-dimethylpropyl)-1,4-dihydropyrimidine
SMILESCC(C)(C)CC1=NCC=CN1
InChIInChI=1S/C9H16N2/c1-9(2,3)7-8-10-5-4-6-11-8/h4-5H,6-7H2,1-3H3,(H,10,11)
InChIKeyIDRIDYDFXGVMIG-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 2-(2,2-dimethylpropyl)-1,4-dihydropyrimidine?
The IUPAC name of 2-(2,2-dimethylpropyl)-1,4-dihydropyrimidine (CID 155051813) is 2-(2,2-dimethylpropyl)-1,4-dihydropyrimidine.
What is the SMILES notation for 2-(2,2-dimethylpropyl)-1,4-dihydropyrimidine?
The canonical SMILES for 2-(2,2-dimethylpropyl)-1,4-dihydropyrimidine is CC(C)(C)CC1=NCC=CN1.
What is the InChIKey of 2-(2,2-dimethylpropyl)-1,4-dihydropyrimidine?
The InChIKey is IDRIDYDFXGVMIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-9(2,3)7-8-10-5-4-6-11-8/h4-5H,6-7H2,1-3H3,(H,10,11).
What are the key properties of 2-(2,2-dimethylpropyl)-1,4-dihydropyrimidine?
2-(2,2-dimethylpropyl)-1,4-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 2-(2,2-dimethylpropyl)-1,4-dihydropyrimidine is sourced from PubChem (CID 155051813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).