[2-(4-bromo-5-chlorothiophen-2-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]hydrazine

C11H10BrClN4OS — CID 106473662

IUPAC[2-(4-bromo-5-chlorothiophen-2-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]hydrazine
SMILESNNc1nc(-c2cc(Br)c(Cl)s2)nc2c1COCC2
InChIInChI=1S/C11H10BrClN4OS/c12-6-3-8(19-9(6)13)11-15-7-1-2-18-4-5(7)10(16-11)17-14/h3H,1-2,4,14H2,(H,15,16,17)
InChIKeyINHXFQWYBJTBML-UHFFFAOYSA-N
MW361.65 g/mol
LogP2.98
Rot. Bonds2

About [2-(4-bromo-5-chlorothiophen-2-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]hydrazine

[2-(4-bromo-5-chlorothiophen-2-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]hydrazine (PubChem CID 106473662) has the molecular formula C11H10BrClN4OS and a molecular weight of 361.65 g/mol. Its IUPAC name is [2-(4-bromo-5-chlorothiophen-2-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[2-(4-bromo-5-chlorothiophen-2-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]hydrazine
PubChem CID106473662
Molecular FormulaC11H10BrClN4OS
Molecular Weight361.65 g/mol
Exact Mass359.94
IUPAC Name[2-(4-bromo-5-chlorothiophen-2-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]hydrazine
SMILESNNc1nc(-c2cc(Br)c(Cl)s2)nc2c1COCC2
InChIInChI=1S/C11H10BrClN4OS/c12-6-3-8(19-9(6)13)11-15-7-1-2-18-4-5(7)10(16-11)17-14/h3H,1-2,4,14H2,(H,15,16,17)
InChIKeyINHXFQWYBJTBML-UHFFFAOYSA-N
XLogP2.98
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.65
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-(5-bromothiophen-2-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]hydrazine
CID 106473597
2-(4,5-dibromothiophen-2-yl)-N-ethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472685
2-(4-bromo-5-methylthiophen-2-yl)-N-ethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472680
2-(4,5-dibromothiophen-2-yl)-N-propyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472651
2-(4-bromo-5-chlorothiophen-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 102843827
2-(4-bromo-5-chlorothiophen-2-yl)-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 102844127
[2-(4-chloro-2-methoxyphenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]hydrazine
CID 106819770
[2-(4,5-dibromothiophen-2-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]hydrazine
CID 102844254
[2-[3-(difluoromethyl)phenyl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]hydrazine
CID 106473686
[2-(2-methoxyphenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]hydrazine
CID 106473417
2-(4-bromo-5-chlorothiophen-2-yl)pyrimidin-4-amine
CID 102843847
2-(4-bromo-5-chlorothiophen-2-yl)-6-cyclopropyl-5-iodo-N-methylpyrimidin-4-amine
CID 102844086

Frequently Asked Questions

What is the IUPAC name of [2-(4-bromo-5-chlorothiophen-2-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]hydrazine?
The IUPAC name of [2-(4-bromo-5-chlorothiophen-2-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]hydrazine (CID 106473662) is [2-(4-bromo-5-chlorothiophen-2-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [2-(4-bromo-5-chlorothiophen-2-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]hydrazine?
The canonical SMILES for [2-(4-bromo-5-chlorothiophen-2-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]hydrazine is NNc1nc(-c2cc(Br)c(Cl)s2)nc2c1COCC2.
What is the InChIKey of [2-(4-bromo-5-chlorothiophen-2-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]hydrazine?
The InChIKey is INHXFQWYBJTBML-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrClN4OS/c12-6-3-8(19-9(6)13)11-15-7-1-2-18-4-5(7)10(16-11)17-14/h3H,1-2,4,14H2,(H,15,16,17).
What are the key properties of [2-(4-bromo-5-chlorothiophen-2-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]hydrazine?
[2-(4-bromo-5-chlorothiophen-2-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]hydrazine has a molecular weight of 361.65 g/mol, XLogP of 2.98, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-bromo-5-chlorothiophen-2-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 106473662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).