4-tert-butyl-2-ethyl-5-(4-fluorophenyl)-1,4-dihydropyrimidine

C16H21FN2 — CID 134472426

IUPAC4-tert-butyl-2-ethyl-5-(4-fluorophenyl)-1,4-dihydropyrimidine
SMILESCCC1=NC(C(C)(C)C)C(c2ccc(F)cc2)=CN1
InChIInChI=1S/C16H21FN2/c1-5-14-18-10-13(15(19-14)16(2,3)4)11-6-8-12(17)9-7-11/h6-10,15H,5H2,1-4H3,(H,18,19)
InChIKeyIEBYRNQZTNLADN-UHFFFAOYSA-N
MW260.36 g/mol
LogP3.99
Rot. Bonds2

About 4-tert-butyl-2-ethyl-5-(4-fluorophenyl)-1,4-dihydropyrimidine

4-tert-butyl-2-ethyl-5-(4-fluorophenyl)-1,4-dihydropyrimidine (PubChem CID 134472426) has the molecular formula C16H21FN2 and a molecular weight of 260.36 g/mol. Its IUPAC name is 4-tert-butyl-2-ethyl-5-(4-fluorophenyl)-1,4-dihydropyrimidine.

Molecular Properties

Compound Name4-tert-butyl-2-ethyl-5-(4-fluorophenyl)-1,4-dihydropyrimidine
PubChem CID134472426
Molecular FormulaC16H21FN2
Molecular Weight260.36 g/mol
Exact Mass260.17
IUPAC Name4-tert-butyl-2-ethyl-5-(4-fluorophenyl)-1,4-dihydropyrimidine
SMILESCCC1=NC(C(C)(C)C)C(c2ccc(F)cc2)=CN1
InChIInChI=1S/C16H21FN2/c1-5-14-18-10-13(15(19-14)16(2,3)4)11-6-8-12(17)9-7-11/h6-10,15H,5H2,1-4H3,(H,18,19)
InChIKeyIEBYRNQZTNLADN-UHFFFAOYSA-N
XLogP3.99
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

((E)-Azacyclotridec-1-en-2-yl)-(2,2-diphenyl-pentyl)-amine
CID 14997863
N-[1-(4-fluorophenyl)ethyl]-3,4-dihydro-2H-pyrrol-5-amine
CID 4637442
N-(2,2-diphenylpentyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine;hydrochloride
CID 11280170
N,N'-Bis(1-phenylpropan-2-yl)ethanimidamide
CID 3046295
N,N'-diethyl-2-(4-fluorophenyl)ethanimidamide;hydrochloride
CID 45260139
2-Methyl-4-phenyl-1,4-dihydropyrimidine
CID 70493140
N-cyclohexyl-6-(3-fluorophenyl)-1,2,3,6-tetrahydropyrazin-5-amine
CID 50767865
2-Benzyl-3,3-dimethyl-2,4-dihydropyrrol-5-amine
CID 10750649
N-(2,2-diphenylpentyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine
CID 11280171
N-cyano-N'-[(1R)-1-(4-fluorophenyl)ethyl]-2-(2-methylphenyl)ethanimidamide
CID 11500314
N-cyano-N'-[1-(3-fluorophenyl)ethyl]-2-(2-methylphenyl)ethanimidamide
CID 11500315
N-cyano-N'-[1-(4-fluorophenyl)ethyl]-2-(2-methylphenyl)ethanimidamide
CID 11673771

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-ethyl-5-(4-fluorophenyl)-1,4-dihydropyrimidine?
The IUPAC name of 4-tert-butyl-2-ethyl-5-(4-fluorophenyl)-1,4-dihydropyrimidine (CID 134472426) is 4-tert-butyl-2-ethyl-5-(4-fluorophenyl)-1,4-dihydropyrimidine.
What is the SMILES notation for 4-tert-butyl-2-ethyl-5-(4-fluorophenyl)-1,4-dihydropyrimidine?
The canonical SMILES for 4-tert-butyl-2-ethyl-5-(4-fluorophenyl)-1,4-dihydropyrimidine is CCC1=NC(C(C)(C)C)C(c2ccc(F)cc2)=CN1.
What is the InChIKey of 4-tert-butyl-2-ethyl-5-(4-fluorophenyl)-1,4-dihydropyrimidine?
The InChIKey is IEBYRNQZTNLADN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2/c1-5-14-18-10-13(15(19-14)16(2,3)4)11-6-8-12(17)9-7-11/h6-10,15H,5H2,1-4H3,(H,18,19).
What are the key properties of 4-tert-butyl-2-ethyl-5-(4-fluorophenyl)-1,4-dihydropyrimidine?
4-tert-butyl-2-ethyl-5-(4-fluorophenyl)-1,4-dihydropyrimidine has a molecular weight of 260.36 g/mol, XLogP of 3.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-ethyl-5-(4-fluorophenyl)-1,4-dihydropyrimidine is sourced from PubChem (CID 134472426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).