5-fluoro-2-hydrazinyl-N-[(4-propan-2-ylphenyl)methyl]pyrimidin-4-amine

C14H18FN5 — CID 80902838

IUPAC5-fluoro-2-hydrazinyl-N-[(4-propan-2-ylphenyl)methyl]pyrimidin-4-amine
SMILESCC(C)c1ccc(CNc2nc(NN)ncc2F)cc1
InChIInChI=1S/C14H18FN5/c1-9(2)11-5-3-10(4-6-11)7-17-13-12(15)8-18-14(19-13)20-16/h3-6,8-9H,7,16H2,1-2H3,(H2,17,18,19,20)
InChIKeyVWJNVJHDMXRSGG-UHFFFAOYSA-N
MW275.33 g/mol
LogP2.64
Rot. Bonds5

About 5-fluoro-2-hydrazinyl-N-[(4-propan-2-ylphenyl)methyl]pyrimidin-4-amine

5-fluoro-2-hydrazinyl-N-[(4-propan-2-ylphenyl)methyl]pyrimidin-4-amine (PubChem CID 80902838) has the molecular formula C14H18FN5 and a molecular weight of 275.33 g/mol. Its IUPAC name is 5-fluoro-2-hydrazinyl-N-[(4-propan-2-ylphenyl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-fluoro-2-hydrazinyl-N-[(4-propan-2-ylphenyl)methyl]pyrimidin-4-amine
PubChem CID80902838
Molecular FormulaC14H18FN5
Molecular Weight275.33 g/mol
Exact Mass275.15
IUPAC Name5-fluoro-2-hydrazinyl-N-[(4-propan-2-ylphenyl)methyl]pyrimidin-4-amine
SMILESCC(C)c1ccc(CNc2nc(NN)ncc2F)cc1
InChIInChI=1S/C14H18FN5/c1-9(2)11-5-3-10(4-6-11)7-17-13-12(15)8-18-14(19-13)20-16/h3-6,8-9H,7,16H2,1-2H3,(H2,17,18,19,20)
InChIKeyVWJNVJHDMXRSGG-UHFFFAOYSA-N
XLogP2.64
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 52.64
H-Bond Donors ≤ 53
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

5-chloro-2-N-ethyl-4-N-[(4-propan-2-ylphenyl)methyl]pyrimidine-2,4-diamine
CID 80792892
5-fluoro-2-hydrazinyl-N-[(2-methylphenyl)methyl]pyrimidin-4-amine
CID 80899165
5-fluoro-2-hydrazinyl-N-(2-propan-2-yloxyethyl)pyrimidin-4-amine
CID 104767471
5-methyl-N-[(4-propan-2-ylphenyl)methyl]pyrimidin-2-amine
CID 63208033
5-fluoro-4-N-[(4-methylphenyl)methyl]-2-N-propylpyrimidine-2,4-diamine
CID 80778083
5-chloro-2-hydrazinyl-N-[(4-methoxyphenyl)methyl]pyrimidin-4-amine
CID 80932410
2-N-ethyl-5-fluoro-4-N-(4-propan-2-ylphenyl)pyrimidine-2,4-diamine
CID 80768448
5-fluoro-2-hydrazinyl-N-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-amine
CID 80914824
2-[(5-fluoro-2-hydrazinylpyrimidin-4-yl)amino]-1-phenylethanol
CID 80907262
5-fluoro-2-hydrazinyl-N-[(4-methylthiophen-3-yl)methyl]pyrimidin-4-amine
CID 80927239
5-fluoro-2-hydrazinyl-N-(4-propan-2-yloxybutyl)pyrimidin-4-amine
CID 106012916
2-chloro-5-fluoro-N-[(4-fluorophenyl)methyl]pyrimidin-4-amine
CID 79081337

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-hydrazinyl-N-[(4-propan-2-ylphenyl)methyl]pyrimidin-4-amine?
The IUPAC name of 5-fluoro-2-hydrazinyl-N-[(4-propan-2-ylphenyl)methyl]pyrimidin-4-amine (CID 80902838) is 5-fluoro-2-hydrazinyl-N-[(4-propan-2-ylphenyl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 5-fluoro-2-hydrazinyl-N-[(4-propan-2-ylphenyl)methyl]pyrimidin-4-amine?
The canonical SMILES for 5-fluoro-2-hydrazinyl-N-[(4-propan-2-ylphenyl)methyl]pyrimidin-4-amine is CC(C)c1ccc(CNc2nc(NN)ncc2F)cc1.
What is the InChIKey of 5-fluoro-2-hydrazinyl-N-[(4-propan-2-ylphenyl)methyl]pyrimidin-4-amine?
The InChIKey is VWJNVJHDMXRSGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN5/c1-9(2)11-5-3-10(4-6-11)7-17-13-12(15)8-18-14(19-13)20-16/h3-6,8-9H,7,16H2,1-2H3,(H2,17,18,19,20).
What are the key properties of 5-fluoro-2-hydrazinyl-N-[(4-propan-2-ylphenyl)methyl]pyrimidin-4-amine?
5-fluoro-2-hydrazinyl-N-[(4-propan-2-ylphenyl)methyl]pyrimidin-4-amine has a molecular weight of 275.33 g/mol, XLogP of 2.64, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-hydrazinyl-N-[(4-propan-2-ylphenyl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 80902838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).