4-(2-methylpentan-2-yl)-1,4-dihydropyrimidine

C10H18N2 — CID 134478753

IUPAC4-(2-methylpentan-2-yl)-1,4-dihydropyrimidine
SMILESCCCC(C)(C)C1C=CNC=N1
InChIInChI=1S/C10H18N2/c1-4-6-10(2,3)9-5-7-11-8-12-9/h5,7-9H,4,6H2,1-3H3,(H,11,12)
InChIKeyOTSMUECOSQOAHR-UHFFFAOYSA-N
MW166.27 g/mol
LogP2.33
Rot. Bonds3

About 4-(2-methylpentan-2-yl)-1,4-dihydropyrimidine

4-(2-methylpentan-2-yl)-1,4-dihydropyrimidine (PubChem CID 134478753) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is 4-(2-methylpentan-2-yl)-1,4-dihydropyrimidine.

Molecular Properties

Compound Name4-(2-methylpentan-2-yl)-1,4-dihydropyrimidine
PubChem CID134478753
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name4-(2-methylpentan-2-yl)-1,4-dihydropyrimidine
SMILESCCCC(C)(C)C1C=CNC=N1
InChIInChI=1S/C10H18N2/c1-4-6-10(2,3)9-5-7-11-8-12-9/h5,7-9H,4,6H2,1-3H3,(H,11,12)
InChIKeyOTSMUECOSQOAHR-UHFFFAOYSA-N
XLogP2.33
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpentan-2-yl)-1,4-dihydropyrimidine?
The IUPAC name of 4-(2-methylpentan-2-yl)-1,4-dihydropyrimidine (CID 134478753) is 4-(2-methylpentan-2-yl)-1,4-dihydropyrimidine.
What is the SMILES notation for 4-(2-methylpentan-2-yl)-1,4-dihydropyrimidine?
The canonical SMILES for 4-(2-methylpentan-2-yl)-1,4-dihydropyrimidine is CCCC(C)(C)C1C=CNC=N1.
What is the InChIKey of 4-(2-methylpentan-2-yl)-1,4-dihydropyrimidine?
The InChIKey is OTSMUECOSQOAHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2/c1-4-6-10(2,3)9-5-7-11-8-12-9/h5,7-9H,4,6H2,1-3H3,(H,11,12).
What are the key properties of 4-(2-methylpentan-2-yl)-1,4-dihydropyrimidine?
4-(2-methylpentan-2-yl)-1,4-dihydropyrimidine has a molecular weight of 166.27 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpentan-2-yl)-1,4-dihydropyrimidine is sourced from PubChem (CID 134478753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).