[6-tert-butyl-2-[(3-fluorophenyl)sulfanylmethyl]pyrimidin-4-yl]hydrazine

C15H19FN4S — CID 66072321

IUPAC[6-tert-butyl-2-[(3-fluorophenyl)sulfanylmethyl]pyrimidin-4-yl]hydrazine
SMILESCC(C)(C)c1cc(NN)nc(CSc2cccc(F)c2)n1
InChIInChI=1S/C15H19FN4S/c1-15(2,3)12-8-13(20-17)19-14(18-12)9-21-11-6-4-5-10(16)7-11/h4-8H,9,17H2,1-3H3,(H,18,19,20)
InChIKeyWZLHTUAHKXNQDV-UHFFFAOYSA-N
MW306.41 g/mol
LogP3.49
Rot. Bonds4

About [6-tert-butyl-2-[(3-fluorophenyl)sulfanylmethyl]pyrimidin-4-yl]hydrazine

[6-tert-butyl-2-[(3-fluorophenyl)sulfanylmethyl]pyrimidin-4-yl]hydrazine (PubChem CID 66072321) has the molecular formula C15H19FN4S and a molecular weight of 306.41 g/mol. Its IUPAC name is [6-tert-butyl-2-[(3-fluorophenyl)sulfanylmethyl]pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[6-tert-butyl-2-[(3-fluorophenyl)sulfanylmethyl]pyrimidin-4-yl]hydrazine
PubChem CID66072321
Molecular FormulaC15H19FN4S
Molecular Weight306.41 g/mol
Exact Mass306.13
IUPAC Name[6-tert-butyl-2-[(3-fluorophenyl)sulfanylmethyl]pyrimidin-4-yl]hydrazine
SMILESCC(C)(C)c1cc(NN)nc(CSc2cccc(F)c2)n1
InChIInChI=1S/C15H19FN4S/c1-15(2,3)12-8-13(20-17)19-14(18-12)9-21-11-6-4-5-10(16)7-11/h4-8H,9,17H2,1-3H3,(H,18,19,20)
InChIKeyWZLHTUAHKXNQDV-UHFFFAOYSA-N
XLogP3.49
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[6-tert-butyl-2-[(4-methylphenyl)sulfanylmethyl]pyrimidin-4-yl]hydrazine
CID 66065031
[6-tert-butyl-2-(3-fluorophenyl)pyrimidin-4-yl]hydrazine
CID 62252562
[6-tert-butyl-2-(propan-2-ylsulfanylmethyl)pyrimidin-4-yl]hydrazine
CID 65132213
N-ethyl-2-[(3-fluorophenyl)sulfanylmethyl]pyrimidin-4-amine
CID 66070463
4-tert-butyl-6-chloro-2-[(3-fluorophenyl)sulfanylmethyl]-5-iodopyrimidine
CID 66295033
4,6-dichloro-2-[(3-fluorophenyl)sulfanylmethyl]-5-methylpyrimidine
CID 66073080
6-ethyl-2-[(3-fluorophenyl)sulfanylmethyl]pyrimidin-4-amine
CID 66072317
1-[2-[(3-fluorophenyl)sulfanylmethyl]-4,6-dimethylpyrimidin-5-yl]-N-methylmethanamine
CID 66071908
N-tert-butyl-3-[(3-fluorophenyl)sulfanylmethyl]-1,2,4-thiadiazol-5-amine
CID 66071099
[2-[(3-chlorophenyl)sulfanylmethyl]-6-ethylpyrimidin-4-yl]hydrazine
CID 66146872
N-ethyl-2-[(3-fluorophenyl)sulfanylmethyl]-5,6-dimethylpyrimidin-4-amine
CID 66070669
[2-[(3-fluorophenyl)sulfanylmethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine
CID 66072112

Frequently Asked Questions

What is the IUPAC name of [6-tert-butyl-2-[(3-fluorophenyl)sulfanylmethyl]pyrimidin-4-yl]hydrazine?
The IUPAC name of [6-tert-butyl-2-[(3-fluorophenyl)sulfanylmethyl]pyrimidin-4-yl]hydrazine (CID 66072321) is [6-tert-butyl-2-[(3-fluorophenyl)sulfanylmethyl]pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [6-tert-butyl-2-[(3-fluorophenyl)sulfanylmethyl]pyrimidin-4-yl]hydrazine?
The canonical SMILES for [6-tert-butyl-2-[(3-fluorophenyl)sulfanylmethyl]pyrimidin-4-yl]hydrazine is CC(C)(C)c1cc(NN)nc(CSc2cccc(F)c2)n1.
What is the InChIKey of [6-tert-butyl-2-[(3-fluorophenyl)sulfanylmethyl]pyrimidin-4-yl]hydrazine?
The InChIKey is WZLHTUAHKXNQDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN4S/c1-15(2,3)12-8-13(20-17)19-14(18-12)9-21-11-6-4-5-10(16)7-11/h4-8H,9,17H2,1-3H3,(H,18,19,20).
What are the key properties of [6-tert-butyl-2-[(3-fluorophenyl)sulfanylmethyl]pyrimidin-4-yl]hydrazine?
[6-tert-butyl-2-[(3-fluorophenyl)sulfanylmethyl]pyrimidin-4-yl]hydrazine has a molecular weight of 306.41 g/mol, XLogP of 3.49, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-tert-butyl-2-[(3-fluorophenyl)sulfanylmethyl]pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 66072321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).