[6-cyclopropyl-2-[(2-methylphenyl)sulfanylmethyl]pyrimidin-4-yl]hydrazine

C15H18N4S — CID 66097189

IUPAC[6-cyclopropyl-2-[(2-methylphenyl)sulfanylmethyl]pyrimidin-4-yl]hydrazine
SMILESCc1ccccc1SCc1nc(NN)cc(C2CC2)n1
InChIInChI=1S/C15H18N4S/c1-10-4-2-3-5-13(10)20-9-15-17-12(11-6-7-11)8-14(18-15)19-16/h2-5,8,11H,6-7,9,16H2,1H3,(H,17,18,19)
InChIKeyOQHZKOPJQZPUSL-UHFFFAOYSA-N
MW286.40 g/mol
LogP3.24
Rot. Bonds5

About [6-cyclopropyl-2-[(2-methylphenyl)sulfanylmethyl]pyrimidin-4-yl]hydrazine

[6-cyclopropyl-2-[(2-methylphenyl)sulfanylmethyl]pyrimidin-4-yl]hydrazine (PubChem CID 66097189) has the molecular formula C15H18N4S and a molecular weight of 286.40 g/mol. Its IUPAC name is [6-cyclopropyl-2-[(2-methylphenyl)sulfanylmethyl]pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[6-cyclopropyl-2-[(2-methylphenyl)sulfanylmethyl]pyrimidin-4-yl]hydrazine
PubChem CID66097189
Molecular FormulaC15H18N4S
Molecular Weight286.40 g/mol
Exact Mass286.13
IUPAC Name[6-cyclopropyl-2-[(2-methylphenyl)sulfanylmethyl]pyrimidin-4-yl]hydrazine
SMILESCc1ccccc1SCc1nc(NN)cc(C2CC2)n1
InChIInChI=1S/C15H18N4S/c1-10-4-2-3-5-13(10)20-9-15-17-12(11-6-7-11)8-14(18-15)19-16/h2-5,8,11H,6-7,9,16H2,1H3,(H,17,18,19)
InChIKeyOQHZKOPJQZPUSL-UHFFFAOYSA-N
XLogP3.24
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 53.24
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-(propylsulfanylmethyl)pyrimidin-4-yl]hydrazine
CID 65129298
(2-benzyl-6-cyclopropylpyrimidin-4-yl)hydrazine
CID 63354322
6-cyclopropyl-N-ethyl-2-[(2-fluorophenyl)sulfanylmethyl]pyrimidin-4-amine
CID 66051940
[6-cyclopropyl-2-(2-methylphenyl)pyrimidin-4-yl]hydrazine
CID 55249671
[2-[(2-bromophenyl)sulfanylmethyl]-6-propylpyrimidin-4-yl]hydrazine
CID 66145462
1-[4,6-dimethyl-2-[(2-methylphenyl)sulfanylmethyl]pyrimidin-5-yl]-N-methylmethanamine
CID 66096153
[2-[(4-bromophenyl)methyl]-6-cyclopropylpyrimidin-4-yl]hydrazine
CID 55189625
N-ethyl-6-(methoxymethyl)-2-[(2-methylphenyl)sulfanylmethyl]pyrimidin-4-amine
CID 66098661
4-methyl-6-[(2-methylphenyl)sulfanylmethyl]-1,3,5-triazin-2-amine
CID 66096995
4-chloro-6-ethyl-2-[(2-methylphenyl)sulfanylmethyl]pyrimidine
CID 66094645
[2-(phenylsulfanylmethyl)-6-propylpyrimidin-4-yl]hydrazine
CID 65143778
5-ethyl-6-methyl-2-[(2-methylphenyl)sulfanylmethyl]pyrimidin-4-amine
CID 66096359

Frequently Asked Questions

What is the IUPAC name of [6-cyclopropyl-2-[(2-methylphenyl)sulfanylmethyl]pyrimidin-4-yl]hydrazine?
The IUPAC name of [6-cyclopropyl-2-[(2-methylphenyl)sulfanylmethyl]pyrimidin-4-yl]hydrazine (CID 66097189) is [6-cyclopropyl-2-[(2-methylphenyl)sulfanylmethyl]pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [6-cyclopropyl-2-[(2-methylphenyl)sulfanylmethyl]pyrimidin-4-yl]hydrazine?
The canonical SMILES for [6-cyclopropyl-2-[(2-methylphenyl)sulfanylmethyl]pyrimidin-4-yl]hydrazine is Cc1ccccc1SCc1nc(NN)cc(C2CC2)n1.
What is the InChIKey of [6-cyclopropyl-2-[(2-methylphenyl)sulfanylmethyl]pyrimidin-4-yl]hydrazine?
The InChIKey is OQHZKOPJQZPUSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4S/c1-10-4-2-3-5-13(10)20-9-15-17-12(11-6-7-11)8-14(18-15)19-16/h2-5,8,11H,6-7,9,16H2,1H3,(H,17,18,19).
What are the key properties of [6-cyclopropyl-2-[(2-methylphenyl)sulfanylmethyl]pyrimidin-4-yl]hydrazine?
[6-cyclopropyl-2-[(2-methylphenyl)sulfanylmethyl]pyrimidin-4-yl]hydrazine has a molecular weight of 286.40 g/mol, XLogP of 3.24, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-cyclopropyl-2-[(2-methylphenyl)sulfanylmethyl]pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 66097189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).