5-tert-butyl-1,2-dihydropyrimidine

C8H14N2 — CID 21291999

IUPAC5-tert-butyl-1,2-dihydropyrimidine
SMILESCC(C)(C)C1=CNCN=C1
InChIInChI=1S/C8H14N2/c1-8(2,3)7-4-9-6-10-5-7/h4-5,9H,6H2,1-3H3
InChIKeyUMKBRRRVOPUHGP-UHFFFAOYSA-N
MW138.21 g/mol
LogP1.55
Rot. Bonds

About 5-tert-butyl-1,2-dihydropyrimidine

5-tert-butyl-1,2-dihydropyrimidine (PubChem CID 21291999) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is 5-tert-butyl-1,2-dihydropyrimidine.

Molecular Properties

Compound Name5-tert-butyl-1,2-dihydropyrimidine
PubChem CID21291999
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name5-tert-butyl-1,2-dihydropyrimidine
SMILESCC(C)(C)C1=CNCN=C1
InChIInChI=1S/C8H14N2/c1-8(2,3)7-4-9-6-10-5-7/h4-5,9H,6H2,1-3H3
InChIKeyUMKBRRRVOPUHGP-UHFFFAOYSA-N
XLogP1.55
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-1,2-dihydropyrimidine?
The IUPAC name of 5-tert-butyl-1,2-dihydropyrimidine (CID 21291999) is 5-tert-butyl-1,2-dihydropyrimidine.
What is the SMILES notation for 5-tert-butyl-1,2-dihydropyrimidine?
The canonical SMILES for 5-tert-butyl-1,2-dihydropyrimidine is CC(C)(C)C1=CNCN=C1.
What is the InChIKey of 5-tert-butyl-1,2-dihydropyrimidine?
The InChIKey is UMKBRRRVOPUHGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2/c1-8(2,3)7-4-9-6-10-5-7/h4-5,9H,6H2,1-3H3.
What are the key properties of 5-tert-butyl-1,2-dihydropyrimidine?
5-tert-butyl-1,2-dihydropyrimidine has a molecular weight of 138.21 g/mol, XLogP of 1.55, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-1,2-dihydropyrimidine is sourced from PubChem (CID 21291999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).