methyl 2-[1-[(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)sulfanylmethyl]cyclopropyl]acetate

C14H22N4O2S — CID 107778834

IUPACmethyl 2-[1-[(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)sulfanylmethyl]cyclopropyl]acetate
SMILESCCc1nc(NN)c(C)c(SCC2(CC(=O)OC)CC2)n1
InChIInChI=1S/C14H22N4O2S/c1-4-10-16-12(18-15)9(2)13(17-10)21-8-14(5-6-14)7-11(19)20-3/h4-8,15H2,1-3H3,(H,16,17,18)
InChIKeyQZDAWQAXHNFEGR-UHFFFAOYSA-N
MW310.42 g/mol
LogP2.07
Rot. Bonds7

About methyl 2-[1-[(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)sulfanylmethyl]cyclopropyl]acetate

methyl 2-[1-[(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)sulfanylmethyl]cyclopropyl]acetate (PubChem CID 107778834) has the molecular formula C14H22N4O2S and a molecular weight of 310.42 g/mol. Its IUPAC name is methyl 2-[1-[(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)sulfanylmethyl]cyclopropyl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-[(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)sulfanylmethyl]cyclopropyl]acetate
PubChem CID107778834
Molecular FormulaC14H22N4O2S
Molecular Weight310.42 g/mol
Exact Mass310.15
IUPAC Namemethyl 2-[1-[(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)sulfanylmethyl]cyclopropyl]acetate
SMILESCCc1nc(NN)c(C)c(SCC2(CC(=O)OC)CC2)n1
InChIInChI=1S/C14H22N4O2S/c1-4-10-16-12(18-15)9(2)13(17-10)21-8-14(5-6-14)7-11(19)20-3/h4-8,15H2,1-3H3,(H,16,17,18)
InChIKeyQZDAWQAXHNFEGR-UHFFFAOYSA-N
XLogP2.07
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-[(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)sulfanylmethyl]cyclopropyl]acetate?
The IUPAC name of methyl 2-[1-[(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)sulfanylmethyl]cyclopropyl]acetate (CID 107778834) is methyl 2-[1-[(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)sulfanylmethyl]cyclopropyl]acetate.
What is the SMILES notation for methyl 2-[1-[(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)sulfanylmethyl]cyclopropyl]acetate?
The canonical SMILES for methyl 2-[1-[(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)sulfanylmethyl]cyclopropyl]acetate is CCc1nc(NN)c(C)c(SCC2(CC(=O)OC)CC2)n1.
What is the InChIKey of methyl 2-[1-[(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)sulfanylmethyl]cyclopropyl]acetate?
The InChIKey is QZDAWQAXHNFEGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2S/c1-4-10-16-12(18-15)9(2)13(17-10)21-8-14(5-6-14)7-11(19)20-3/h4-8,15H2,1-3H3,(H,16,17,18).
What are the key properties of methyl 2-[1-[(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)sulfanylmethyl]cyclopropyl]acetate?
methyl 2-[1-[(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)sulfanylmethyl]cyclopropyl]acetate has a molecular weight of 310.42 g/mol, XLogP of 2.07, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-[(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)sulfanylmethyl]cyclopropyl]acetate is sourced from PubChem (CID 107778834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).