3-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]-4-methyl-1,3-thiazol-2-one

C10H13N5OS — CID 80656727

IUPAC3-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]-4-methyl-1,3-thiazol-2-one
SMILESCc1cc(NN)nc(Cn2c(C)csc2=O)n1
InChIInChI=1S/C10H13N5OS/c1-6-3-8(14-11)13-9(12-6)4-15-7(2)5-17-10(15)16/h3,5H,4,11H2,1-2H3,(H,12,13,14)
InChIKeyDFPNKMPBVQCQIL-UHFFFAOYSA-N
MW251.31 g/mol
LogP0.65
Rot. Bonds3

About 3-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]-4-methyl-1,3-thiazol-2-one

3-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]-4-methyl-1,3-thiazol-2-one (PubChem CID 80656727) has the molecular formula C10H13N5OS and a molecular weight of 251.31 g/mol. Its IUPAC name is 3-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]-4-methyl-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]-4-methyl-1,3-thiazol-2-one
PubChem CID80656727
Molecular FormulaC10H13N5OS
Molecular Weight251.31 g/mol
Exact Mass251.08
IUPAC Name3-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]-4-methyl-1,3-thiazol-2-one
SMILESCc1cc(NN)nc(Cn2c(C)csc2=O)n1
InChIInChI=1S/C10H13N5OS/c1-6-3-8(14-11)13-9(12-6)4-15-7(2)5-17-10(15)16/h3,5H,4,11H2,1-2H3,(H,12,13,14)
InChIKeyDFPNKMPBVQCQIL-UHFFFAOYSA-N
XLogP0.65
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 50.65
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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Related Compounds

1-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]-5-methylpyrimidin-2-one
CID 80656136
[2-(azocan-1-ylmethyl)-6-methylpyrimidin-4-yl]hydrazine
CID 80656209
3-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-4-methyl-1,3-thiazol-2-one
CID 80614789
4-ethyl-1-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]pyrrolidin-2-one
CID 80655291
3-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]thieno[2,3-d]pyrimidin-4-one
CID 80656447
[6-methyl-2-(1,2,4-triazol-1-ylmethyl)pyrimidin-4-yl]hydrazine
CID 80655682
1-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]-3-methylpyrrolidine-2,5-dione
CID 80656636
3-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]-4-methyl-1,3-thiazol-2-one
CID 79764145
4,5-dimethyl-3-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]-1,3-thiazol-2-one
CID 80654666
1-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]-1,4-diazepan-5-one
CID 80655902
4,6-dimethyl-1-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]pyrimidin-2-one
CID 80654493
(2,6-dimethylpyrimidin-4-yl)hydrazine
CID 736395

Frequently Asked Questions

What is the IUPAC name of 3-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]-4-methyl-1,3-thiazol-2-one?
The IUPAC name of 3-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]-4-methyl-1,3-thiazol-2-one (CID 80656727) is 3-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]-4-methyl-1,3-thiazol-2-one.
What is the SMILES notation for 3-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]-4-methyl-1,3-thiazol-2-one?
The canonical SMILES for 3-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]-4-methyl-1,3-thiazol-2-one is Cc1cc(NN)nc(Cn2c(C)csc2=O)n1.
What is the InChIKey of 3-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]-4-methyl-1,3-thiazol-2-one?
The InChIKey is DFPNKMPBVQCQIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5OS/c1-6-3-8(14-11)13-9(12-6)4-15-7(2)5-17-10(15)16/h3,5H,4,11H2,1-2H3,(H,12,13,14).
What are the key properties of 3-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]-4-methyl-1,3-thiazol-2-one?
3-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]-4-methyl-1,3-thiazol-2-one has a molecular weight of 251.31 g/mol, XLogP of 0.65, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]-4-methyl-1,3-thiazol-2-one is sourced from PubChem (CID 80656727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).