[2-[(3-chlorophenyl)methyl]-6-ethylthieno[2,3-d]pyrimidin-4-yl]hydrazine

C15H15ClN4S — CID 63615804

IUPAC[2-[(3-chlorophenyl)methyl]-6-ethylthieno[2,3-d]pyrimidin-4-yl]hydrazine
SMILESCCc1cc2c(NN)nc(Cc3cccc(Cl)c3)nc2s1
InChIInChI=1S/C15H15ClN4S/c1-2-11-8-12-14(20-17)18-13(19-15(12)21-11)7-9-4-3-5-10(16)6-9/h3-6,8H,2,7,17H2,1H3,(H,18,19,20)
InChIKeyZCWHVGIWTAQCFT-UHFFFAOYSA-N
MW318.83 g/mol
LogP3.78
Rot. Bonds4

About [2-[(3-chlorophenyl)methyl]-6-ethylthieno[2,3-d]pyrimidin-4-yl]hydrazine

[2-[(3-chlorophenyl)methyl]-6-ethylthieno[2,3-d]pyrimidin-4-yl]hydrazine (PubChem CID 63615804) has the molecular formula C15H15ClN4S and a molecular weight of 318.83 g/mol. Its IUPAC name is [2-[(3-chlorophenyl)methyl]-6-ethylthieno[2,3-d]pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[2-[(3-chlorophenyl)methyl]-6-ethylthieno[2,3-d]pyrimidin-4-yl]hydrazine
PubChem CID63615804
Molecular FormulaC15H15ClN4S
Molecular Weight318.83 g/mol
Exact Mass318.07
IUPAC Name[2-[(3-chlorophenyl)methyl]-6-ethylthieno[2,3-d]pyrimidin-4-yl]hydrazine
SMILESCCc1cc2c(NN)nc(Cc3cccc(Cl)c3)nc2s1
InChIInChI=1S/C15H15ClN4S/c1-2-11-8-12-14(20-17)18-13(19-15(12)21-11)7-9-4-3-5-10(16)6-9/h3-6,8H,2,7,17H2,1H3,(H,18,19,20)
InChIKeyZCWHVGIWTAQCFT-UHFFFAOYSA-N
XLogP3.78
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.83
LogP ≤ 53.78
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

2-benzyl-N-(4-chlorophenyl)-6-ethylthieno[2,3-d]pyrimidin-4-amine
CID 91964737
2-benzyl-N-(2,5-dichlorophenyl)-6-ethylthieno[2,3-d]pyrimidin-4-amine
CID 91964768
[6-ethyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]thieno[2,3-d]pyrimidin-4-yl]hydrazine
CID 63614519
2-benzyl-N-(3-chloro-2-methylphenyl)-6-ethylthieno[2,3-d]pyrimidin-4-amine
CID 91964774
[6-ethyl-2-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine
CID 63615328
[6-ethyl-2-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine
CID 63614031
6-ethyl-N-methyl-2-[(4-methylphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 63615784
2-benzyl-N-(2,5-dimethylphenyl)-6-ethylthieno[2,3-d]pyrimidin-4-amine
CID 91964785
4-[(2-benzyl-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]phenol
CID 91964744
N-(3-chlorophenyl)-6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-amine
CID 16627283
3-[3-[(3-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-5-ethylthiophen-2-amine
CID 63614342
2-benzyl-6-ethyl-N-(furan-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 91964816

Frequently Asked Questions

What is the IUPAC name of [2-[(3-chlorophenyl)methyl]-6-ethylthieno[2,3-d]pyrimidin-4-yl]hydrazine?
The IUPAC name of [2-[(3-chlorophenyl)methyl]-6-ethylthieno[2,3-d]pyrimidin-4-yl]hydrazine (CID 63615804) is [2-[(3-chlorophenyl)methyl]-6-ethylthieno[2,3-d]pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [2-[(3-chlorophenyl)methyl]-6-ethylthieno[2,3-d]pyrimidin-4-yl]hydrazine?
The canonical SMILES for [2-[(3-chlorophenyl)methyl]-6-ethylthieno[2,3-d]pyrimidin-4-yl]hydrazine is CCc1cc2c(NN)nc(Cc3cccc(Cl)c3)nc2s1.
What is the InChIKey of [2-[(3-chlorophenyl)methyl]-6-ethylthieno[2,3-d]pyrimidin-4-yl]hydrazine?
The InChIKey is ZCWHVGIWTAQCFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN4S/c1-2-11-8-12-14(20-17)18-13(19-15(12)21-11)7-9-4-3-5-10(16)6-9/h3-6,8H,2,7,17H2,1H3,(H,18,19,20).
What are the key properties of [2-[(3-chlorophenyl)methyl]-6-ethylthieno[2,3-d]pyrimidin-4-yl]hydrazine?
[2-[(3-chlorophenyl)methyl]-6-ethylthieno[2,3-d]pyrimidin-4-yl]hydrazine has a molecular weight of 318.83 g/mol, XLogP of 3.78, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-chlorophenyl)methyl]-6-ethylthieno[2,3-d]pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 63615804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).