5-tert-butyl-1,3-dimethyl-6-phenyl-2,4-dihydropyrimidine

C16H24N2 — CID 164983625

IUPAC5-tert-butyl-1,3-dimethyl-6-phenyl-2,4-dihydropyrimidine
SMILESCN1CC(C(C)(C)C)=C(c2ccccc2)N(C)C1
InChIInChI=1S/C16H24N2/c1-16(2,3)14-11-17(4)12-18(5)15(14)13-9-7-6-8-10-13/h6-10H,11-12H2,1-5H3
InChIKeyMLLUHDHQZNWVIC-UHFFFAOYSA-N
MW244.38 g/mol
LogP3.28
Rot. Bonds1

About 5-tert-butyl-1,3-dimethyl-6-phenyl-2,4-dihydropyrimidine

5-tert-butyl-1,3-dimethyl-6-phenyl-2,4-dihydropyrimidine (PubChem CID 164983625) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 5-tert-butyl-1,3-dimethyl-6-phenyl-2,4-dihydropyrimidine.

Molecular Properties

Compound Name5-tert-butyl-1,3-dimethyl-6-phenyl-2,4-dihydropyrimidine
PubChem CID164983625
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name5-tert-butyl-1,3-dimethyl-6-phenyl-2,4-dihydropyrimidine
SMILESCN1CC(C(C)(C)C)=C(c2ccccc2)N(C)C1
InChIInChI=1S/C16H24N2/c1-16(2,3)14-11-17(4)12-18(5)15(14)13-9-7-6-8-10-13/h6-10H,11-12H2,1-5H3
InChIKeyMLLUHDHQZNWVIC-UHFFFAOYSA-N
XLogP3.28
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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17-methyl-4,5,10,11,15,16,21,22-octakis-phenyl-1,3,6,9,12,14,17,20-octazatetracyclo[18.2.1.13,6.19,12]pentacosa-4,10,15,21-tetraene
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2,5,6-trimethyl-1,3-diphenyl-4,7-dihydroisoindole
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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-1,3-dimethyl-6-phenyl-2,4-dihydropyrimidine?
The IUPAC name of 5-tert-butyl-1,3-dimethyl-6-phenyl-2,4-dihydropyrimidine (CID 164983625) is 5-tert-butyl-1,3-dimethyl-6-phenyl-2,4-dihydropyrimidine.
What is the SMILES notation for 5-tert-butyl-1,3-dimethyl-6-phenyl-2,4-dihydropyrimidine?
The canonical SMILES for 5-tert-butyl-1,3-dimethyl-6-phenyl-2,4-dihydropyrimidine is CN1CC(C(C)(C)C)=C(c2ccccc2)N(C)C1.
What is the InChIKey of 5-tert-butyl-1,3-dimethyl-6-phenyl-2,4-dihydropyrimidine?
The InChIKey is MLLUHDHQZNWVIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-16(2,3)14-11-17(4)12-18(5)15(14)13-9-7-6-8-10-13/h6-10H,11-12H2,1-5H3.
What are the key properties of 5-tert-butyl-1,3-dimethyl-6-phenyl-2,4-dihydropyrimidine?
5-tert-butyl-1,3-dimethyl-6-phenyl-2,4-dihydropyrimidine has a molecular weight of 244.38 g/mol, XLogP of 3.28, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-1,3-dimethyl-6-phenyl-2,4-dihydropyrimidine is sourced from PubChem (CID 164983625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).