[2-(2,4-dichlorophenyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]hydrazine

C12H10Cl2N4S — CID 83200934

IUPAC[2-(2,4-dichlorophenyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]hydrazine
SMILESNNc1nc(-c2ccc(Cl)cc2Cl)nc2c1CSC2
InChIInChI=1S/C12H10Cl2N4S/c13-6-1-2-7(9(14)3-6)11-16-10-5-19-4-8(10)12(17-11)18-15/h1-3H,4-5,15H2,(H,16,17,18)
InChIKeyUHJXKQJBSRDNBH-UHFFFAOYSA-N
MW313.21 g/mol
LogP3.48
Rot. Bonds2

About [2-(2,4-dichlorophenyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]hydrazine

[2-(2,4-dichlorophenyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]hydrazine (PubChem CID 83200934) has the molecular formula C12H10Cl2N4S and a molecular weight of 313.21 g/mol. Its IUPAC name is [2-(2,4-dichlorophenyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[2-(2,4-dichlorophenyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]hydrazine
PubChem CID83200934
Molecular FormulaC12H10Cl2N4S
Molecular Weight313.21 g/mol
Exact Mass312.00
IUPAC Name[2-(2,4-dichlorophenyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]hydrazine
SMILESNNc1nc(-c2ccc(Cl)cc2Cl)nc2c1CSC2
InChIInChI=1S/C12H10Cl2N4S/c13-6-1-2-7(9(14)3-6)11-16-10-5-19-4-8(10)12(17-11)18-15/h1-3H,4-5,15H2,(H,16,17,18)
InChIKeyUHJXKQJBSRDNBH-UHFFFAOYSA-N
XLogP3.48
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.21
LogP ≤ 53.48
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-(2,4-dichlorophenyl)-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83201654
[2-(4-chlorophenyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]hydrazine
CID 83201592
[2-(4-fluoro-3-methoxyphenyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]hydrazine
CID 107922932
2-(2-bromo-4-chlorophenyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83201182
[2-(1-benzothiophen-3-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]hydrazine
CID 83191648
[2-(5-bromothiophen-2-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]hydrazine
CID 83200526
[2-(4,5-dibromothiophen-2-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]hydrazine
CID 102844254
[2-(furan-3-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]hydrazine
CID 83200762
[2-(3-fluoro-4-methoxyphenyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]hydrazine
CID 83201198
[2-(1,3-benzodioxol-5-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]hydrazine
CID 83191661
2-(2-bromo-5-chlorophenyl)-4-chloro-5,7-dihydrothieno[3,4-d]pyrimidine
CID 83190473
2-(3-chlorophenyl)-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83190443

Frequently Asked Questions

What is the IUPAC name of [2-(2,4-dichlorophenyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]hydrazine?
The IUPAC name of [2-(2,4-dichlorophenyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]hydrazine (CID 83200934) is [2-(2,4-dichlorophenyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [2-(2,4-dichlorophenyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]hydrazine?
The canonical SMILES for [2-(2,4-dichlorophenyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]hydrazine is NNc1nc(-c2ccc(Cl)cc2Cl)nc2c1CSC2.
What is the InChIKey of [2-(2,4-dichlorophenyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]hydrazine?
The InChIKey is UHJXKQJBSRDNBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N4S/c13-6-1-2-7(9(14)3-6)11-16-10-5-19-4-8(10)12(17-11)18-15/h1-3H,4-5,15H2,(H,16,17,18).
What are the key properties of [2-(2,4-dichlorophenyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]hydrazine?
[2-(2,4-dichlorophenyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]hydrazine has a molecular weight of 313.21 g/mol, XLogP of 3.48, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,4-dichlorophenyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 83200934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).