2-methyl-4-(1,2-thiazol-5-ylmethylamino)-1H-pyrimidin-6-one

C9H10N4OS — CID 136937279

IUPAC2-methyl-4-(1,2-thiazol-5-ylmethylamino)-1H-pyrimidin-6-one
SMILESCc1nc(NCc2ccns2)cc(=O)[nH]1
InChIInChI=1S/C9H10N4OS/c1-6-12-8(4-9(14)13-6)10-5-7-2-3-11-15-7/h2-4H,5H2,1H3,(H2,10,12,13,14)
InChIKeyJOXDQBCPRQGRAV-UHFFFAOYSA-N
MW222.27 g/mol
LogP1.15
Rot. Bonds3

About 2-methyl-4-(1,2-thiazol-5-ylmethylamino)-1H-pyrimidin-6-one

2-methyl-4-(1,2-thiazol-5-ylmethylamino)-1H-pyrimidin-6-one (PubChem CID 136937279) has the molecular formula C9H10N4OS and a molecular weight of 222.27 g/mol. Its IUPAC name is 2-methyl-4-(1,2-thiazol-5-ylmethylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-methyl-4-(1,2-thiazol-5-ylmethylamino)-1H-pyrimidin-6-one
PubChem CID136937279
Molecular FormulaC9H10N4OS
Molecular Weight222.27 g/mol
Exact Mass222.06
IUPAC Name2-methyl-4-(1,2-thiazol-5-ylmethylamino)-1H-pyrimidin-6-one
SMILESCc1nc(NCc2ccns2)cc(=O)[nH]1
InChIInChI=1S/C9H10N4OS/c1-6-12-8(4-9(14)13-6)10-5-7-2-3-11-15-7/h2-4H,5H2,1H3,(H2,10,12,13,14)
InChIKeyJOXDQBCPRQGRAV-UHFFFAOYSA-N
XLogP1.15
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.27
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(1,2-thiazol-5-ylmethylamino)-1H-pyrimidin-6-one?
The IUPAC name of 2-methyl-4-(1,2-thiazol-5-ylmethylamino)-1H-pyrimidin-6-one (CID 136937279) is 2-methyl-4-(1,2-thiazol-5-ylmethylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-methyl-4-(1,2-thiazol-5-ylmethylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 2-methyl-4-(1,2-thiazol-5-ylmethylamino)-1H-pyrimidin-6-one is Cc1nc(NCc2ccns2)cc(=O)[nH]1.
What is the InChIKey of 2-methyl-4-(1,2-thiazol-5-ylmethylamino)-1H-pyrimidin-6-one?
The InChIKey is JOXDQBCPRQGRAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4OS/c1-6-12-8(4-9(14)13-6)10-5-7-2-3-11-15-7/h2-4H,5H2,1H3,(H2,10,12,13,14).
What are the key properties of 2-methyl-4-(1,2-thiazol-5-ylmethylamino)-1H-pyrimidin-6-one?
2-methyl-4-(1,2-thiazol-5-ylmethylamino)-1H-pyrimidin-6-one has a molecular weight of 222.27 g/mol, XLogP of 1.15, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(1,2-thiazol-5-ylmethylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136937279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).