6-(2-amino-4-methyl-1,3-thiazol-5-yl)-1H-pyrimidin-2-one

C8H8N4OS — CID 117273148

IUPAC6-(2-amino-4-methyl-1,3-thiazol-5-yl)-1H-pyrimidin-2-one
SMILESCc1nc(N)sc1-c1ccnc(=O)[nH]1
InChIInChI=1S/C8H8N4OS/c1-4-6(14-7(9)11-4)5-2-3-10-8(13)12-5/h2-3H,1H3,(H2,9,11)(H,10,12,13)
InChIKeyIODKRSFNYMBCPG-UHFFFAOYSA-N
MW208.25 g/mol
LogP0.78
Rot. Bonds1

About 6-(2-amino-4-methyl-1,3-thiazol-5-yl)-1H-pyrimidin-2-one

6-(2-amino-4-methyl-1,3-thiazol-5-yl)-1H-pyrimidin-2-one (PubChem CID 117273148) has the molecular formula C8H8N4OS and a molecular weight of 208.25 g/mol. Its IUPAC name is 6-(2-amino-4-methyl-1,3-thiazol-5-yl)-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-(2-amino-4-methyl-1,3-thiazol-5-yl)-1H-pyrimidin-2-one
PubChem CID117273148
Molecular FormulaC8H8N4OS
Molecular Weight208.25 g/mol
Exact Mass208.04
IUPAC Name6-(2-amino-4-methyl-1,3-thiazol-5-yl)-1H-pyrimidin-2-one
SMILESCc1nc(N)sc1-c1ccnc(=O)[nH]1
InChIInChI=1S/C8H8N4OS/c1-4-6(14-7(9)11-4)5-2-3-10-8(13)12-5/h2-3H,1H3,(H2,9,11)(H,10,12,13)
InChIKeyIODKRSFNYMBCPG-UHFFFAOYSA-N
XLogP0.78
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.25
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(2-amino-4-methyl-1,3-thiazol-5-yl)-1H-pyrimidin-2-one?
The IUPAC name of 6-(2-amino-4-methyl-1,3-thiazol-5-yl)-1H-pyrimidin-2-one (CID 117273148) is 6-(2-amino-4-methyl-1,3-thiazol-5-yl)-1H-pyrimidin-2-one.
What is the SMILES notation for 6-(2-amino-4-methyl-1,3-thiazol-5-yl)-1H-pyrimidin-2-one?
The canonical SMILES for 6-(2-amino-4-methyl-1,3-thiazol-5-yl)-1H-pyrimidin-2-one is Cc1nc(N)sc1-c1ccnc(=O)[nH]1.
What is the InChIKey of 6-(2-amino-4-methyl-1,3-thiazol-5-yl)-1H-pyrimidin-2-one?
The InChIKey is IODKRSFNYMBCPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4OS/c1-4-6(14-7(9)11-4)5-2-3-10-8(13)12-5/h2-3H,1H3,(H2,9,11)(H,10,12,13).
What are the key properties of 6-(2-amino-4-methyl-1,3-thiazol-5-yl)-1H-pyrimidin-2-one?
6-(2-amino-4-methyl-1,3-thiazol-5-yl)-1H-pyrimidin-2-one has a molecular weight of 208.25 g/mol, XLogP of 0.78, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-amino-4-methyl-1,3-thiazol-5-yl)-1H-pyrimidin-2-one is sourced from PubChem (CID 117273148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).