[2-[(3-chloro-2-fluorophenyl)methyl]-6-methyl-5-propan-2-ylpyrimidin-4-yl]hydrazine

C15H18ClFN4 — CID 82790822

IUPAC[2-[(3-chloro-2-fluorophenyl)methyl]-6-methyl-5-propan-2-ylpyrimidin-4-yl]hydrazine
SMILESCc1nc(Cc2cccc(Cl)c2F)nc(NN)c1C(C)C
InChIInChI=1S/C15H18ClFN4/c1-8(2)13-9(3)19-12(20-15(13)21-18)7-10-5-4-6-11(16)14(10)17/h4-6,8H,7,18H2,1-3H3,(H,19,20,21)
InChIKeyUSLHYMIHUZZPBI-UHFFFAOYSA-N
MW308.79 g/mol
LogP3.58
Rot. Bonds4

About [2-[(3-chloro-2-fluorophenyl)methyl]-6-methyl-5-propan-2-ylpyrimidin-4-yl]hydrazine

[2-[(3-chloro-2-fluorophenyl)methyl]-6-methyl-5-propan-2-ylpyrimidin-4-yl]hydrazine (PubChem CID 82790822) has the molecular formula C15H18ClFN4 and a molecular weight of 308.79 g/mol. Its IUPAC name is [2-[(3-chloro-2-fluorophenyl)methyl]-6-methyl-5-propan-2-ylpyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[2-[(3-chloro-2-fluorophenyl)methyl]-6-methyl-5-propan-2-ylpyrimidin-4-yl]hydrazine
PubChem CID82790822
Molecular FormulaC15H18ClFN4
Molecular Weight308.79 g/mol
Exact Mass308.12
IUPAC Name[2-[(3-chloro-2-fluorophenyl)methyl]-6-methyl-5-propan-2-ylpyrimidin-4-yl]hydrazine
SMILESCc1nc(Cc2cccc(Cl)c2F)nc(NN)c1C(C)C
InChIInChI=1S/C15H18ClFN4/c1-8(2)13-9(3)19-12(20-15(13)21-18)7-10-5-4-6-11(16)14(10)17/h4-6,8H,7,18H2,1-3H3,(H,19,20,21)
InChIKeyUSLHYMIHUZZPBI-UHFFFAOYSA-N
XLogP3.58
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.79
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

[2-[(3-chloro-2-fluorophenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine
CID 82805386
2-[(3-chloro-2-fluorophenyl)methyl]-5-iodo-N-methyl-6-propan-2-ylpyrimidin-4-amine
CID 82790667
[6-methyl-2-[(4-methylphenyl)methyl]-5-propan-2-ylpyrimidin-4-yl]hydrazine
CID 62915531
2-[2-[(3-chloro-2-fluorophenyl)methyl]-4,6-dimethylpyrimidin-5-yl]-N-methylethanamine
CID 82792954
4-chloro-2-[(2-chlorophenyl)methyl]-6-methyl-5-propan-2-ylpyrimidine
CID 63405591
[2-[(4-bromophenyl)methyl]-6-methyl-5-propan-2-ylpyrimidin-4-yl]hydrazine
CID 62913700
1-[2-[(3-chloro-2-fluorophenyl)methyl]-4-methylpyrimidin-5-yl]ethanol
CID 82806358
(1R)-1-[2-[(3-chloro-2-fluorophenyl)methyl]-4-methylpyrimidin-5-yl]ethanol
CID 103431246
[2-[(3-chloro-2-fluorophenyl)methyl]-6-methylpyrimidin-4-yl]methanamine
CID 82806244
4-[(3-chloro-2-fluorophenyl)methyl]-6-ethyl-1,3,5-triazin-2-amine
CID 82807355
3-[(3-chloro-2-fluorophenyl)methyl]-N-(2-methylpropyl)-1,2,4-thiadiazol-5-amine
CID 82807470
1-[3-[(3-chloro-2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-methylethanamine
CID 82802562

Frequently Asked Questions

What is the IUPAC name of [2-[(3-chloro-2-fluorophenyl)methyl]-6-methyl-5-propan-2-ylpyrimidin-4-yl]hydrazine?
The IUPAC name of [2-[(3-chloro-2-fluorophenyl)methyl]-6-methyl-5-propan-2-ylpyrimidin-4-yl]hydrazine (CID 82790822) is [2-[(3-chloro-2-fluorophenyl)methyl]-6-methyl-5-propan-2-ylpyrimidin-4-yl]hydrazine.
What is the SMILES notation for [2-[(3-chloro-2-fluorophenyl)methyl]-6-methyl-5-propan-2-ylpyrimidin-4-yl]hydrazine?
The canonical SMILES for [2-[(3-chloro-2-fluorophenyl)methyl]-6-methyl-5-propan-2-ylpyrimidin-4-yl]hydrazine is Cc1nc(Cc2cccc(Cl)c2F)nc(NN)c1C(C)C.
What is the InChIKey of [2-[(3-chloro-2-fluorophenyl)methyl]-6-methyl-5-propan-2-ylpyrimidin-4-yl]hydrazine?
The InChIKey is USLHYMIHUZZPBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClFN4/c1-8(2)13-9(3)19-12(20-15(13)21-18)7-10-5-4-6-11(16)14(10)17/h4-6,8H,7,18H2,1-3H3,(H,19,20,21).
What are the key properties of [2-[(3-chloro-2-fluorophenyl)methyl]-6-methyl-5-propan-2-ylpyrimidin-4-yl]hydrazine?
[2-[(3-chloro-2-fluorophenyl)methyl]-6-methyl-5-propan-2-ylpyrimidin-4-yl]hydrazine has a molecular weight of 308.79 g/mol, XLogP of 3.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-chloro-2-fluorophenyl)methyl]-6-methyl-5-propan-2-ylpyrimidin-4-yl]hydrazine is sourced from PubChem (CID 82790822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).