2,6-di(propan-2-yl)-1,4-dihydropyrimidine

C10H18N2 — CID 167420555

IUPAC2,6-di(propan-2-yl)-1,4-dihydropyrimidine
SMILESCC(C)C1=CCN=C(C(C)C)N1
InChIInChI=1S/C10H18N2/c1-7(2)9-5-6-11-10(12-9)8(3)4/h5,7-8H,6H2,1-4H3,(H,11,12)
InChIKeyXXTSIYSVXJLVFZ-UHFFFAOYSA-N
MW166.27 g/mol
LogP2.18
Rot. Bonds2

About 2,6-di(propan-2-yl)-1,4-dihydropyrimidine

2,6-di(propan-2-yl)-1,4-dihydropyrimidine (PubChem CID 167420555) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is 2,6-di(propan-2-yl)-1,4-dihydropyrimidine.

Molecular Properties

Compound Name2,6-di(propan-2-yl)-1,4-dihydropyrimidine
PubChem CID167420555
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name2,6-di(propan-2-yl)-1,4-dihydropyrimidine
SMILESCC(C)C1=CCN=C(C(C)C)N1
InChIInChI=1S/C10H18N2/c1-7(2)9-5-6-11-10(12-9)8(3)4/h5,7-8H,6H2,1-4H3,(H,11,12)
InChIKeyXXTSIYSVXJLVFZ-UHFFFAOYSA-N
XLogP2.18
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,6-di(propan-2-yl)-1,4-dihydropyrimidine?
The IUPAC name of 2,6-di(propan-2-yl)-1,4-dihydropyrimidine (CID 167420555) is 2,6-di(propan-2-yl)-1,4-dihydropyrimidine.
What is the SMILES notation for 2,6-di(propan-2-yl)-1,4-dihydropyrimidine?
The canonical SMILES for 2,6-di(propan-2-yl)-1,4-dihydropyrimidine is CC(C)C1=CCN=C(C(C)C)N1.
What is the InChIKey of 2,6-di(propan-2-yl)-1,4-dihydropyrimidine?
The InChIKey is XXTSIYSVXJLVFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2/c1-7(2)9-5-6-11-10(12-9)8(3)4/h5,7-8H,6H2,1-4H3,(H,11,12).
What are the key properties of 2,6-di(propan-2-yl)-1,4-dihydropyrimidine?
2,6-di(propan-2-yl)-1,4-dihydropyrimidine has a molecular weight of 166.27 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-di(propan-2-yl)-1,4-dihydropyrimidine is sourced from PubChem (CID 167420555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).