3-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]thieno[2,3-d]pyrimidin-4-one

C12H12N6OS — CID 80656447

IUPAC3-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]thieno[2,3-d]pyrimidin-4-one
SMILESCc1cc(NN)nc(Cn2cnc3sccc3c2=O)n1
InChIInChI=1S/C12H12N6OS/c1-7-4-9(17-13)16-10(15-7)5-18-6-14-11-8(12(18)19)2-3-20-11/h2-4,6H,5,13H2,1H3,(H,15,16,17)
InChIKeySGIBHRMKLXLHDQ-UHFFFAOYSA-N
MW288.34 g/mol
LogP0.89
Rot. Bonds3

About 3-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]thieno[2,3-d]pyrimidin-4-one

3-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]thieno[2,3-d]pyrimidin-4-one (PubChem CID 80656447) has the molecular formula C12H12N6OS and a molecular weight of 288.34 g/mol. Its IUPAC name is 3-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]thieno[2,3-d]pyrimidin-4-one
PubChem CID80656447
Molecular FormulaC12H12N6OS
Molecular Weight288.34 g/mol
Exact Mass288.08
IUPAC Name3-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]thieno[2,3-d]pyrimidin-4-one
SMILESCc1cc(NN)nc(Cn2cnc3sccc3c2=O)n1
InChIInChI=1S/C12H12N6OS/c1-7-4-9(17-13)16-10(15-7)5-18-6-14-11-8(12(18)19)2-3-20-11/h2-4,6H,5,13H2,1H3,(H,15,16,17)
InChIKeySGIBHRMKLXLHDQ-UHFFFAOYSA-N
XLogP0.89
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

3-[[4-(ethylamino)-6-methylpyrimidin-2-yl]methyl]thieno[2,3-d]pyrimidin-4-one
CID 80663820
1-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]-5-methylpyrimidin-2-one
CID 80656136
3-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]thieno[2,3-d]pyrimidin-4-one
CID 114218090
3-methyl-7-[(4-oxothieno[2,3-d]pyrimidin-3-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 24577055
3-[(4-oxothieno[2,3-d]pyrimidin-3-yl)methyl]benzohydrazide
CID 63577338
3-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]-4-methyl-1,3-thiazol-2-one
CID 80656727
3-[[6-(ethylamino)-3-pyridinyl]methyl]thieno[2,3-d]pyrimidin-4-one
CID 62207128
5-[(4-oxothieno[2,3-d]pyrimidin-3-yl)methyl]thiophene-2-carbohydrazide
CID 63578955
3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(2,4,6-trimethyl-3-pyridinyl)propanamide
CID 78859797
3-[(3-amino-5-bromophenyl)methyl]thieno[2,3-d]pyrimidin-4-one
CID 103350053
3-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]thieno[2,3-d]pyrimidin-4-one
CID 38866791
3-[(2-amino-4-chlorophenyl)methyl]thieno[2,3-d]pyrimidin-4-one
CID 55036937

Frequently Asked Questions

What is the IUPAC name of 3-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 3-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]thieno[2,3-d]pyrimidin-4-one (CID 80656447) is 3-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 3-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 3-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]thieno[2,3-d]pyrimidin-4-one is Cc1cc(NN)nc(Cn2cnc3sccc3c2=O)n1.
What is the InChIKey of 3-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]thieno[2,3-d]pyrimidin-4-one?
The InChIKey is SGIBHRMKLXLHDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N6OS/c1-7-4-9(17-13)16-10(15-7)5-18-6-14-11-8(12(18)19)2-3-20-11/h2-4,6H,5,13H2,1H3,(H,15,16,17).
What are the key properties of 3-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]thieno[2,3-d]pyrimidin-4-one?
3-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]thieno[2,3-d]pyrimidin-4-one has a molecular weight of 288.34 g/mol, XLogP of 0.89, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 80656447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).