[5-ethyl-2-[2-(4-fluorophenyl)propan-2-yl]-6-methylpyrimidin-4-yl]hydrazine

C16H21FN4 — CID 64769553

IUPAC[5-ethyl-2-[2-(4-fluorophenyl)propan-2-yl]-6-methylpyrimidin-4-yl]hydrazine
SMILESCCc1c(C)nc(C(C)(C)c2ccc(F)cc2)nc1NN
InChIInChI=1S/C16H21FN4/c1-5-13-10(2)19-15(20-14(13)21-18)16(3,4)11-6-8-12(17)9-7-11/h6-9H,5,18H2,1-4H3,(H,19,20,21)
InChIKeyAITNOVUQUHZNMH-UHFFFAOYSA-N
MW288.37 g/mol
LogP3.10
Rot. Bonds4

About [5-ethyl-2-[2-(4-fluorophenyl)propan-2-yl]-6-methylpyrimidin-4-yl]hydrazine

[5-ethyl-2-[2-(4-fluorophenyl)propan-2-yl]-6-methylpyrimidin-4-yl]hydrazine (PubChem CID 64769553) has the molecular formula C16H21FN4 and a molecular weight of 288.37 g/mol. Its IUPAC name is [5-ethyl-2-[2-(4-fluorophenyl)propan-2-yl]-6-methylpyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[5-ethyl-2-[2-(4-fluorophenyl)propan-2-yl]-6-methylpyrimidin-4-yl]hydrazine
PubChem CID64769553
Molecular FormulaC16H21FN4
Molecular Weight288.37 g/mol
Exact Mass288.18
IUPAC Name[5-ethyl-2-[2-(4-fluorophenyl)propan-2-yl]-6-methylpyrimidin-4-yl]hydrazine
SMILESCCc1c(C)nc(C(C)(C)c2ccc(F)cc2)nc1NN
InChIInChI=1S/C16H21FN4/c1-5-13-10(2)19-15(20-14(13)21-18)16(3,4)11-6-8-12(17)9-7-11/h6-9H,5,18H2,1-4H3,(H,19,20,21)
InChIKeyAITNOVUQUHZNMH-UHFFFAOYSA-N
XLogP3.10
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 53.10
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

Diamino-5-phenyl-6-ethylpyrimidine, 2,4-
CID 93114
5-Phenyl-6-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 9814965
2,4-Pyrimidinediamine, 6-hexyl-5-phenyl-
CID 9881905
6-Ethyl-5-(4-methylphenyl)pyrimidine-2,4-diamine
CID 11020649
6-Methyl-5-phenyl-2,4-pyrimidinediamine
CID 72565
5-(4-Tert-butylphenyl)-6-ethylpyrimidine-2,4-diamine
CID 10945514
2-Hydrazino-4-(4-methylphenyl)-6-phenylpyrimidine
CID 780062
1-(4-Fluorophenyl)ethanone (4-methyl-6-phenyl-2-pyrimidinyl)hydrazone
CID 5332853
1-Phenylethanone (5-allyl-6-methyl-2-phenyl-4-pyrimidinyl)hydrazone
CID 5763739
2,4-Pyrimidinediamine, 6-methyl-5-(3-phenylpropyl)-
CID 308637
N-[(E)-Benzylideneamino]-6-methyl-2-phenyl-5-prop-2-enylpyrimidin-4-amine
CID 9585340
6-Ethyl-5-(4-fluorophenyl)pyrimidine-2,4-diamine
CID 13926967

Frequently Asked Questions

What is the IUPAC name of [5-ethyl-2-[2-(4-fluorophenyl)propan-2-yl]-6-methylpyrimidin-4-yl]hydrazine?
The IUPAC name of [5-ethyl-2-[2-(4-fluorophenyl)propan-2-yl]-6-methylpyrimidin-4-yl]hydrazine (CID 64769553) is [5-ethyl-2-[2-(4-fluorophenyl)propan-2-yl]-6-methylpyrimidin-4-yl]hydrazine.
What is the SMILES notation for [5-ethyl-2-[2-(4-fluorophenyl)propan-2-yl]-6-methylpyrimidin-4-yl]hydrazine?
The canonical SMILES for [5-ethyl-2-[2-(4-fluorophenyl)propan-2-yl]-6-methylpyrimidin-4-yl]hydrazine is CCc1c(C)nc(C(C)(C)c2ccc(F)cc2)nc1NN.
What is the InChIKey of [5-ethyl-2-[2-(4-fluorophenyl)propan-2-yl]-6-methylpyrimidin-4-yl]hydrazine?
The InChIKey is AITNOVUQUHZNMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN4/c1-5-13-10(2)19-15(20-14(13)21-18)16(3,4)11-6-8-12(17)9-7-11/h6-9H,5,18H2,1-4H3,(H,19,20,21).
What are the key properties of [5-ethyl-2-[2-(4-fluorophenyl)propan-2-yl]-6-methylpyrimidin-4-yl]hydrazine?
[5-ethyl-2-[2-(4-fluorophenyl)propan-2-yl]-6-methylpyrimidin-4-yl]hydrazine has a molecular weight of 288.37 g/mol, XLogP of 3.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-ethyl-2-[2-(4-fluorophenyl)propan-2-yl]-6-methylpyrimidin-4-yl]hydrazine is sourced from PubChem (CID 64769553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).