4-(aminomethyl)-2-methylsulfanyl-1H-pyrimidin-6-one

C6H9N3OS — CID 135934367

IUPAC4-(aminomethyl)-2-methylsulfanyl-1H-pyrimidin-6-one
SMILESCSc1nc(CN)cc(=O)[nH]1
InChIInChI=1S/C6H9N3OS/c1-11-6-8-4(3-7)2-5(10)9-6/h2H,3,7H2,1H3,(H,8,9,10)
InChIKeyBJVVQDSUVDFVHA-UHFFFAOYSA-N
MW171.23 g/mol
LogP-0.05
Rot. Bonds2

About 4-(aminomethyl)-2-methylsulfanyl-1H-pyrimidin-6-one

4-(aminomethyl)-2-methylsulfanyl-1H-pyrimidin-6-one (PubChem CID 135934367) has the molecular formula C6H9N3OS and a molecular weight of 171.23 g/mol. Its IUPAC name is 4-(aminomethyl)-2-methylsulfanyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(aminomethyl)-2-methylsulfanyl-1H-pyrimidin-6-one
PubChem CID135934367
Molecular FormulaC6H9N3OS
Molecular Weight171.23 g/mol
Exact Mass171.05
IUPAC Name4-(aminomethyl)-2-methylsulfanyl-1H-pyrimidin-6-one
SMILESCSc1nc(CN)cc(=O)[nH]1
InChIInChI=1S/C6H9N3OS/c1-11-6-8-4(3-7)2-5(10)9-6/h2H,3,7H2,1H3,(H,8,9,10)
InChIKeyBJVVQDSUVDFVHA-UHFFFAOYSA-N
XLogP-0.05
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.23
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methylsulfanyl-4-tetradecyl-1H-pyrimidin-6-one
CID 137079394
4-[(2,6-difluorophenyl)methyl]-2-methylsulfanyl-1H-pyrimidin-6-one
CID 135402777
4-(2-cyclopentylethyl)-2-methylsulfanyl-1H-pyrimidin-6-one
CID 137025477
CID 70357325
CID 70357325
4-heptadec-8-enyl-2-methylsulfanyl-1H-pyrimidin-6-one
CID 137178356
2-ethylsulfanyl-4-(methylsulfanylmethyl)-1H-pyrimidin-6-one
CID 137014941
2-methylsulfanyl-4-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-pyrimidin-6-one
CID 135676990
4-cyclopentyl-2-methylsulfanyl-1H-pyrimidin-6-one
CID 135947962
4-(aminomethyl)-2-(2-methoxyethyl)-1H-pyrimidin-6-one
CID 135978360
2-fluoro-2-methyl-N-[(2-methylsulfanyl-6-oxo-1H-pyrimidin-4-yl)methyl]hexanamide
CID 146108897
1-[(2-methylsulfanyl-6-oxo-1H-pyrimidin-4-yl)methyl]-3-(5-propan-2-yl-1,3-thiazol-4-yl)urea
CID 136558674
4-(2-chloro-4-fluorophenyl)-2-methylsulfanyl-1H-pyrimidin-6-one
CID 137025470

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-2-methylsulfanyl-1H-pyrimidin-6-one?
The IUPAC name of 4-(aminomethyl)-2-methylsulfanyl-1H-pyrimidin-6-one (CID 135934367) is 4-(aminomethyl)-2-methylsulfanyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(aminomethyl)-2-methylsulfanyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(aminomethyl)-2-methylsulfanyl-1H-pyrimidin-6-one is CSc1nc(CN)cc(=O)[nH]1.
What is the InChIKey of 4-(aminomethyl)-2-methylsulfanyl-1H-pyrimidin-6-one?
The InChIKey is BJVVQDSUVDFVHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3OS/c1-11-6-8-4(3-7)2-5(10)9-6/h2H,3,7H2,1H3,(H,8,9,10).
What are the key properties of 4-(aminomethyl)-2-methylsulfanyl-1H-pyrimidin-6-one?
4-(aminomethyl)-2-methylsulfanyl-1H-pyrimidin-6-one has a molecular weight of 171.23 g/mol, XLogP of -0.05, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-2-methylsulfanyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135934367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).