4-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]-1H-pyrimidin-6-one

C10H12N4OS — CID 136975958

IUPAC4-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]-1H-pyrimidin-6-one
SMILESCc1csc(C(C)Nc2cc(=O)[nH]cn2)n1
InChIInChI=1S/C10H12N4OS/c1-6-4-16-10(13-6)7(2)14-8-3-9(15)12-5-11-8/h3-5,7H,1-2H3,(H2,11,12,14,15)
InChIKeyIVTJVSRPLXXAPT-UHFFFAOYSA-N
MW236.30 g/mol
LogP1.71
Rot. Bonds3

About 4-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]-1H-pyrimidin-6-one

4-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]-1H-pyrimidin-6-one (PubChem CID 136975958) has the molecular formula C10H12N4OS and a molecular weight of 236.30 g/mol. Its IUPAC name is 4-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]-1H-pyrimidin-6-one
PubChem CID136975958
Molecular FormulaC10H12N4OS
Molecular Weight236.30 g/mol
Exact Mass236.07
IUPAC Name4-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]-1H-pyrimidin-6-one
SMILESCc1csc(C(C)Nc2cc(=O)[nH]cn2)n1
InChIInChI=1S/C10H12N4OS/c1-6-4-16-10(13-6)7(2)14-8-3-9(15)12-5-11-8/h3-5,7H,1-2H3,(H2,11,12,14,15)
InChIKeyIVTJVSRPLXXAPT-UHFFFAOYSA-N
XLogP1.71
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]-1H-pyrimidin-6-one?
The IUPAC name of 4-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]-1H-pyrimidin-6-one (CID 136975958) is 4-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]-1H-pyrimidin-6-one is Cc1csc(C(C)Nc2cc(=O)[nH]cn2)n1.
What is the InChIKey of 4-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]-1H-pyrimidin-6-one?
The InChIKey is IVTJVSRPLXXAPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4OS/c1-6-4-16-10(13-6)7(2)14-8-3-9(15)12-5-11-8/h3-5,7H,1-2H3,(H2,11,12,14,15).
What are the key properties of 4-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]-1H-pyrimidin-6-one?
4-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]-1H-pyrimidin-6-one has a molecular weight of 236.30 g/mol, XLogP of 1.71, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136975958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).