2-tert-butyl-1,2,3,4-tetrahydropyrimidine

C8H16N2 — CID 19800872

IUPAC2-tert-butyl-1,2,3,4-tetrahydropyrimidine
SMILESCC(C)(C)C1NC=CCN1
InChIInChI=1S/C8H16N2/c1-8(2,3)7-9-5-4-6-10-7/h4-5,7,9-10H,6H2,1-3H3
InChIKeyCYEGSNCGVMQQOP-UHFFFAOYSA-N
MW140.23 g/mol
LogP1.07
Rot. Bonds

About 2-tert-butyl-1,2,3,4-tetrahydropyrimidine

2-tert-butyl-1,2,3,4-tetrahydropyrimidine (PubChem CID 19800872) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is 2-tert-butyl-1,2,3,4-tetrahydropyrimidine.

Molecular Properties

Compound Name2-tert-butyl-1,2,3,4-tetrahydropyrimidine
PubChem CID19800872
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name2-tert-butyl-1,2,3,4-tetrahydropyrimidine
SMILESCC(C)(C)C1NC=CCN1
InChIInChI=1S/C8H16N2/c1-8(2,3)7-9-5-4-6-10-7/h4-5,7,9-10H,6H2,1-3H3
InChIKeyCYEGSNCGVMQQOP-UHFFFAOYSA-N
XLogP1.07
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1,2,3,4-tetrahydropyrimidine?
The IUPAC name of 2-tert-butyl-1,2,3,4-tetrahydropyrimidine (CID 19800872) is 2-tert-butyl-1,2,3,4-tetrahydropyrimidine.
What is the SMILES notation for 2-tert-butyl-1,2,3,4-tetrahydropyrimidine?
The canonical SMILES for 2-tert-butyl-1,2,3,4-tetrahydropyrimidine is CC(C)(C)C1NC=CCN1.
What is the InChIKey of 2-tert-butyl-1,2,3,4-tetrahydropyrimidine?
The InChIKey is CYEGSNCGVMQQOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2/c1-8(2,3)7-9-5-4-6-10-7/h4-5,7,9-10H,6H2,1-3H3.
What are the key properties of 2-tert-butyl-1,2,3,4-tetrahydropyrimidine?
2-tert-butyl-1,2,3,4-tetrahydropyrimidine has a molecular weight of 140.23 g/mol, XLogP of 1.07, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1,2,3,4-tetrahydropyrimidine is sourced from PubChem (CID 19800872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).