[6-cyclopropyl-2-(3-methoxyphenyl)pyrimidin-4-yl]hydrazine

C14H16N4O — CID 55189800

IUPAC[6-cyclopropyl-2-(3-methoxyphenyl)pyrimidin-4-yl]hydrazine
SMILESCOc1cccc(-c2nc(NN)cc(C3CC3)n2)c1
InChIInChI=1S/C14H16N4O/c1-19-11-4-2-3-10(7-11)14-16-12(9-5-6-9)8-13(17-14)18-15/h2-4,7-9H,5-6,15H2,1H3,(H,16,17,18)
InChIKeyQRPKVNVUSYGVBV-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.32
Rot. Bonds4

About [6-cyclopropyl-2-(3-methoxyphenyl)pyrimidin-4-yl]hydrazine

[6-cyclopropyl-2-(3-methoxyphenyl)pyrimidin-4-yl]hydrazine (PubChem CID 55189800) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is [6-cyclopropyl-2-(3-methoxyphenyl)pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[6-cyclopropyl-2-(3-methoxyphenyl)pyrimidin-4-yl]hydrazine
PubChem CID55189800
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name[6-cyclopropyl-2-(3-methoxyphenyl)pyrimidin-4-yl]hydrazine
SMILESCOc1cccc(-c2nc(NN)cc(C3CC3)n2)c1
InChIInChI=1S/C14H16N4O/c1-19-11-4-2-3-10(7-11)14-16-12(9-5-6-9)8-13(17-14)18-15/h2-4,7-9H,5-6,15H2,1H3,(H,16,17,18)
InChIKeyQRPKVNVUSYGVBV-UHFFFAOYSA-N
XLogP2.32
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.32
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-cyclopropyl-2-(3-propoxyphenyl)pyrimidin-4-yl]hydrazine
CID 63354426
[6-cyclopropyl-2-(4-fluoro-3-methylphenyl)pyrimidin-4-yl]hydrazine
CID 63354408
[6-cyclopropyl-2-(2-methylphenyl)pyrimidin-4-yl]hydrazine
CID 55249671
[6-cyclopropyl-2-(4-ethylsulfanylphenyl)pyrimidin-4-yl]hydrazine
CID 106849612
6-cyclopropyl-N-methyl-2-phenylpyrimidin-4-amine
CID 63353488
5-cyclopropyl-3-(3-methoxyphenyl)-1,2,4-oxadiazole
CID 19658006
5-bromo-6-cyclopropyl-2-(3-methoxyphenyl)-N-methylpyrimidin-4-amine
CID 66301926
2-(3-methoxyphenyl)-N-methylpyrimidin-4-amine
CID 62191311
5-(azetidin-3-yl)-3-(3-methoxyphenyl)-1H-1,2,4-triazole
CID 84693526
N-ethyl-2-(3-methoxyphenyl)-6-propylpyrimidin-4-amine
CID 62190374
[2-(3,5-dimethoxyphenyl)-6-methylpyrimidin-4-yl]hydrazine
CID 55051100
N'-[4-cyclopropyl-2-(3-methoxyphenyl)pyrimidin-5-yl]ethane-1,2-diamine
CID 117211444

Frequently Asked Questions

What is the IUPAC name of [6-cyclopropyl-2-(3-methoxyphenyl)pyrimidin-4-yl]hydrazine?
The IUPAC name of [6-cyclopropyl-2-(3-methoxyphenyl)pyrimidin-4-yl]hydrazine (CID 55189800) is [6-cyclopropyl-2-(3-methoxyphenyl)pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [6-cyclopropyl-2-(3-methoxyphenyl)pyrimidin-4-yl]hydrazine?
The canonical SMILES for [6-cyclopropyl-2-(3-methoxyphenyl)pyrimidin-4-yl]hydrazine is COc1cccc(-c2nc(NN)cc(C3CC3)n2)c1.
What is the InChIKey of [6-cyclopropyl-2-(3-methoxyphenyl)pyrimidin-4-yl]hydrazine?
The InChIKey is QRPKVNVUSYGVBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c1-19-11-4-2-3-10(7-11)14-16-12(9-5-6-9)8-13(17-14)18-15/h2-4,7-9H,5-6,15H2,1H3,(H,16,17,18).
What are the key properties of [6-cyclopropyl-2-(3-methoxyphenyl)pyrimidin-4-yl]hydrazine?
[6-cyclopropyl-2-(3-methoxyphenyl)pyrimidin-4-yl]hydrazine has a molecular weight of 256.31 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-cyclopropyl-2-(3-methoxyphenyl)pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 55189800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).