5-(aminomethyl)-2-hydrazinyl-3-methyl-6-thiophen-2-ylpyrimidin-4-one

C10H13N5OS — CID 170875448

IUPAC5-(aminomethyl)-2-hydrazinyl-3-methyl-6-thiophen-2-ylpyrimidin-4-one
SMILESCn1c(NN)nc(-c2cccs2)c(CN)c1=O
InChIInChI=1S/C10H13N5OS/c1-15-9(16)6(5-11)8(13-10(15)14-12)7-3-2-4-17-7/h2-4H,5,11-12H2,1H3,(H,13,14)
InChIKeyUVSBIDHHFAFEEW-UHFFFAOYSA-N
MW251.31 g/mol
LogP0.25
Rot. Bonds3

About 5-(aminomethyl)-2-hydrazinyl-3-methyl-6-thiophen-2-ylpyrimidin-4-one

5-(aminomethyl)-2-hydrazinyl-3-methyl-6-thiophen-2-ylpyrimidin-4-one (PubChem CID 170875448) has the molecular formula C10H13N5OS and a molecular weight of 251.31 g/mol. Its IUPAC name is 5-(aminomethyl)-2-hydrazinyl-3-methyl-6-thiophen-2-ylpyrimidin-4-one.

Molecular Properties

Compound Name5-(aminomethyl)-2-hydrazinyl-3-methyl-6-thiophen-2-ylpyrimidin-4-one
PubChem CID170875448
Molecular FormulaC10H13N5OS
Molecular Weight251.31 g/mol
Exact Mass251.08
IUPAC Name5-(aminomethyl)-2-hydrazinyl-3-methyl-6-thiophen-2-ylpyrimidin-4-one
SMILESCn1c(NN)nc(-c2cccs2)c(CN)c1=O
InChIInChI=1S/C10H13N5OS/c1-15-9(16)6(5-11)8(13-10(15)14-12)7-3-2-4-17-7/h2-4H,5,11-12H2,1H3,(H,13,14)
InChIKeyUVSBIDHHFAFEEW-UHFFFAOYSA-N
XLogP0.25
TPSA98.96 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 50.25
H-Bond Donors ≤ 53
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

2-hydrazinyl-3-methylthieno[3,2-d]pyrimidin-4-one
CID 53337713
2-[(4-methoxyphenyl)methylamino]-1-methyl-6-oxo-4-thiophen-2-ylpyrimidine-5-carbonitrile
CID 2727385
1-ethyl-3-thiophen-2-ylquinoxalin-2-one
CID 90202221
1,6-diamino-3,5-bis(aminomethyl)-4-thiophen-2-ylpyridin-2-one
CID 170875480
(5-propan-2-yl-3-thiophen-2-yl-1H-pyrazol-4-yl)methanamine
CID 121212364
4-amino-3-ethyl-6-thiophen-2-yl-1,2,4-triazin-5-one;hydrochloride
CID 22757918
(2-methyl-4-thiophen-2-yl-1H-imidazol-5-yl)methanamine
CID 82281661
2-methyl-4-thiophen-2-ylphthalazin-1-one
CID 17487388
3-ethyl-4-(methylamino)-6-thiophen-2-yl-1,2,4-triazin-5-one
CID 22757892
(2-phenyl-4-thiophen-2-yl-1,3-thiazol-5-yl)methanamine
CID 28709445
3-hydrazinyl-6-thiophen-2-yl-4H-1,2,4-triazin-5-one
CID 135843306
3-amino-1-methyl-6-thiophen-2-ylpyridin-2-one
CID 82467248

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-2-hydrazinyl-3-methyl-6-thiophen-2-ylpyrimidin-4-one?
The IUPAC name of 5-(aminomethyl)-2-hydrazinyl-3-methyl-6-thiophen-2-ylpyrimidin-4-one (CID 170875448) is 5-(aminomethyl)-2-hydrazinyl-3-methyl-6-thiophen-2-ylpyrimidin-4-one.
What is the SMILES notation for 5-(aminomethyl)-2-hydrazinyl-3-methyl-6-thiophen-2-ylpyrimidin-4-one?
The canonical SMILES for 5-(aminomethyl)-2-hydrazinyl-3-methyl-6-thiophen-2-ylpyrimidin-4-one is Cn1c(NN)nc(-c2cccs2)c(CN)c1=O.
What is the InChIKey of 5-(aminomethyl)-2-hydrazinyl-3-methyl-6-thiophen-2-ylpyrimidin-4-one?
The InChIKey is UVSBIDHHFAFEEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5OS/c1-15-9(16)6(5-11)8(13-10(15)14-12)7-3-2-4-17-7/h2-4H,5,11-12H2,1H3,(H,13,14).
What are the key properties of 5-(aminomethyl)-2-hydrazinyl-3-methyl-6-thiophen-2-ylpyrimidin-4-one?
5-(aminomethyl)-2-hydrazinyl-3-methyl-6-thiophen-2-ylpyrimidin-4-one has a molecular weight of 251.31 g/mol, XLogP of 0.25, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-2-hydrazinyl-3-methyl-6-thiophen-2-ylpyrimidin-4-one is sourced from PubChem (CID 170875448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).