2-(4-tert-butylphenyl)-1,4,5,6-tetrahydropyrimidine

C14H20N2 — CID 154341199

IUPAC2-(4-tert-butylphenyl)-1,4,5,6-tetrahydropyrimidine
SMILESCC(C)(C)c1ccc(C2=NCCCN2)cc1
InChIInChI=1S/C14H20N2/c1-14(2,3)12-7-5-11(6-8-12)13-15-9-4-10-16-13/h5-8H,4,9-10H2,1-3H3,(H,15,16)
InChIKeyXPOBCKRZDTXQBO-UHFFFAOYSA-N
MW216.33 g/mol
LogP2.72
Rot. Bonds1

About 2-(4-tert-butylphenyl)-1,4,5,6-tetrahydropyrimidine

2-(4-tert-butylphenyl)-1,4,5,6-tetrahydropyrimidine (PubChem CID 154341199) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)-1,4,5,6-tetrahydropyrimidine.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)-1,4,5,6-tetrahydropyrimidine
PubChem CID154341199
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Name2-(4-tert-butylphenyl)-1,4,5,6-tetrahydropyrimidine
SMILESCC(C)(C)c1ccc(C2=NCCCN2)cc1
InChIInChI=1S/C14H20N2/c1-14(2,3)12-7-5-11(6-8-12)13-15-9-4-10-16-13/h5-8H,4,9-10H2,1-3H3,(H,15,16)
InChIKeyXPOBCKRZDTXQBO-UHFFFAOYSA-N
XLogP2.72
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)-1,4,5,6-tetrahydropyrimidine?
The IUPAC name of 2-(4-tert-butylphenyl)-1,4,5,6-tetrahydropyrimidine (CID 154341199) is 2-(4-tert-butylphenyl)-1,4,5,6-tetrahydropyrimidine.
What is the SMILES notation for 2-(4-tert-butylphenyl)-1,4,5,6-tetrahydropyrimidine?
The canonical SMILES for 2-(4-tert-butylphenyl)-1,4,5,6-tetrahydropyrimidine is CC(C)(C)c1ccc(C2=NCCCN2)cc1.
What is the InChIKey of 2-(4-tert-butylphenyl)-1,4,5,6-tetrahydropyrimidine?
The InChIKey is XPOBCKRZDTXQBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2/c1-14(2,3)12-7-5-11(6-8-12)13-15-9-4-10-16-13/h5-8H,4,9-10H2,1-3H3,(H,15,16).
What are the key properties of 2-(4-tert-butylphenyl)-1,4,5,6-tetrahydropyrimidine?
2-(4-tert-butylphenyl)-1,4,5,6-tetrahydropyrimidine has a molecular weight of 216.33 g/mol, XLogP of 2.72, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenyl)-1,4,5,6-tetrahydropyrimidine is sourced from PubChem (CID 154341199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).