[6-(3-methoxypropylsulfanyl)-2-phenylpyrimidin-4-yl]hydrazine

C14H18N4OS — CID 115916346

IUPAC[6-(3-methoxypropylsulfanyl)-2-phenylpyrimidin-4-yl]hydrazine
SMILESCOCCCSc1cc(NN)nc(-c2ccccc2)n1
InChIInChI=1S/C14H18N4OS/c1-19-8-5-9-20-13-10-12(18-15)16-14(17-13)11-6-3-2-4-7-11/h2-4,6-7,10H,5,8-9,15H2,1H3,(H,16,17,18)
InChIKeyNAXMNDMBZZSCNU-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.56
Rot. Bonds7

About [6-(3-methoxypropylsulfanyl)-2-phenylpyrimidin-4-yl]hydrazine

[6-(3-methoxypropylsulfanyl)-2-phenylpyrimidin-4-yl]hydrazine (PubChem CID 115916346) has the molecular formula C14H18N4OS and a molecular weight of 290.39 g/mol. Its IUPAC name is [6-(3-methoxypropylsulfanyl)-2-phenylpyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[6-(3-methoxypropylsulfanyl)-2-phenylpyrimidin-4-yl]hydrazine
PubChem CID115916346
Molecular FormulaC14H18N4OS
Molecular Weight290.39 g/mol
Exact Mass290.12
IUPAC Name[6-(3-methoxypropylsulfanyl)-2-phenylpyrimidin-4-yl]hydrazine
SMILESCOCCCSc1cc(NN)nc(-c2ccccc2)n1
InChIInChI=1S/C14H18N4OS/c1-19-8-5-9-20-13-10-12(18-15)16-14(17-13)11-6-3-2-4-7-11/h2-4,6-7,10H,5,8-9,15H2,1H3,(H,16,17,18)
InChIKeyNAXMNDMBZZSCNU-UHFFFAOYSA-N
XLogP2.56
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-6-(3-methoxypropylsulfanyl)-2-phenylpyrimidin-4-amine
CID 115916062
6-(3-methoxypropylsulfanyl)-2-phenylpyrimidin-4-amine
CID 112559946
(6-ethylsulfanyl-2-phenylpyrimidin-4-yl)hydrazine
CID 112560009
6-hydrazinyl-N-(2-methoxyethyl)-2-phenylpyrimidin-4-amine
CID 112559970
[6-(cyclopentylmethylsulfanyl)-2-phenylpyrimidin-4-yl]hydrazine
CID 115916343
N-methyl-2-phenyl-6-propylsulfanylpyrimidin-4-amine
CID 112559927
6-ethylsulfanyl-N-methyl-2-phenylpyrimidin-4-amine
CID 112559921
(6-ethyl-2-phenylpyrimidin-4-yl)hydrazine
CID 62252566
6-[2-(dimethylamino)ethylsulfanyl]-N-ethyl-2-phenylpyrimidin-4-amine
CID 115916084
[6-(2-ethoxyethoxy)-2-phenylpyrimidin-4-yl]hydrazine
CID 115916297
N-(2-ethoxyethyl)-6-hydrazinyl-2-phenylpyrimidin-4-amine
CID 115916133
N-(2,2-dimethylpropyl)-6-hydrazinyl-2-phenylpyrimidin-4-amine
CID 113353653

Frequently Asked Questions

What is the IUPAC name of [6-(3-methoxypropylsulfanyl)-2-phenylpyrimidin-4-yl]hydrazine?
The IUPAC name of [6-(3-methoxypropylsulfanyl)-2-phenylpyrimidin-4-yl]hydrazine (CID 115916346) is [6-(3-methoxypropylsulfanyl)-2-phenylpyrimidin-4-yl]hydrazine.
What is the SMILES notation for [6-(3-methoxypropylsulfanyl)-2-phenylpyrimidin-4-yl]hydrazine?
The canonical SMILES for [6-(3-methoxypropylsulfanyl)-2-phenylpyrimidin-4-yl]hydrazine is COCCCSc1cc(NN)nc(-c2ccccc2)n1.
What is the InChIKey of [6-(3-methoxypropylsulfanyl)-2-phenylpyrimidin-4-yl]hydrazine?
The InChIKey is NAXMNDMBZZSCNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4OS/c1-19-8-5-9-20-13-10-12(18-15)16-14(17-13)11-6-3-2-4-7-11/h2-4,6-7,10H,5,8-9,15H2,1H3,(H,16,17,18).
What are the key properties of [6-(3-methoxypropylsulfanyl)-2-phenylpyrimidin-4-yl]hydrazine?
[6-(3-methoxypropylsulfanyl)-2-phenylpyrimidin-4-yl]hydrazine has a molecular weight of 290.39 g/mol, XLogP of 2.56, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3-methoxypropylsulfanyl)-2-phenylpyrimidin-4-yl]hydrazine is sourced from PubChem (CID 115916346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).