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

C10H18N2 — CID 167420540

IUPAC4,6-di(propan-2-yl)-1,2-dihydropyrimidine
SMILESCC(C)C1=CC(C(C)C)=NCN1
InChIInChI=1S/C10H18N2/c1-7(2)9-5-10(8(3)4)12-6-11-9/h5,7-8,11H,6H2,1-4H3
InChIKeyFOUJYYXFDGQXSZ-UHFFFAOYSA-N
MW166.27 g/mol
LogP2.18
Rot. Bonds2

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

4,6-di(propan-2-yl)-1,2-dihydropyrimidine (PubChem CID 167420540) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is 4,6-di(propan-2-yl)-1,2-dihydropyrimidine.

Molecular Properties

Compound Name4,6-di(propan-2-yl)-1,2-dihydropyrimidine
PubChem CID167420540
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name4,6-di(propan-2-yl)-1,2-dihydropyrimidine
SMILESCC(C)C1=CC(C(C)C)=NCN1
InChIInChI=1S/C10H18N2/c1-7(2)9-5-10(8(3)4)12-6-11-9/h5,7-8,11H,6H2,1-4H3
InChIKeyFOUJYYXFDGQXSZ-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 4,6-di(propan-2-yl)-1,2-dihydropyrimidine?
The IUPAC name of 4,6-di(propan-2-yl)-1,2-dihydropyrimidine (CID 167420540) is 4,6-di(propan-2-yl)-1,2-dihydropyrimidine.
What is the SMILES notation for 4,6-di(propan-2-yl)-1,2-dihydropyrimidine?
The canonical SMILES for 4,6-di(propan-2-yl)-1,2-dihydropyrimidine is CC(C)C1=CC(C(C)C)=NCN1.
What is the InChIKey of 4,6-di(propan-2-yl)-1,2-dihydropyrimidine?
The InChIKey is FOUJYYXFDGQXSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2/c1-7(2)9-5-10(8(3)4)12-6-11-9/h5,7-8,11H,6H2,1-4H3.
What are the key properties of 4,6-di(propan-2-yl)-1,2-dihydropyrimidine?
4,6-di(propan-2-yl)-1,2-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 4,6-di(propan-2-yl)-1,2-dihydropyrimidine is sourced from PubChem (CID 167420540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).