5-chloro-4-[2-(1,3-thiazol-2-yl)propylamino]-1H-pyrimidin-6-one

C10H11ClN4OS — CID 136896856

IUPAC5-chloro-4-[2-(1,3-thiazol-2-yl)propylamino]-1H-pyrimidin-6-one
SMILESCC(CNc1nc[nH]c(=O)c1Cl)c1nccs1
InChIInChI=1S/C10H11ClN4OS/c1-6(10-12-2-3-17-10)4-13-8-7(11)9(16)15-5-14-8/h2-3,5-6H,4H2,1H3,(H2,13,14,15,16)
InChIKeyQZKPEZWIILKTIJ-UHFFFAOYSA-N
MW270.75 g/mol
LogP2.10
Rot. Bonds4

About 5-chloro-4-[2-(1,3-thiazol-2-yl)propylamino]-1H-pyrimidin-6-one

5-chloro-4-[2-(1,3-thiazol-2-yl)propylamino]-1H-pyrimidin-6-one (PubChem CID 136896856) has the molecular formula C10H11ClN4OS and a molecular weight of 270.75 g/mol. Its IUPAC name is 5-chloro-4-[2-(1,3-thiazol-2-yl)propylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-chloro-4-[2-(1,3-thiazol-2-yl)propylamino]-1H-pyrimidin-6-one
PubChem CID136896856
Molecular FormulaC10H11ClN4OS
Molecular Weight270.75 g/mol
Exact Mass270.03
IUPAC Name5-chloro-4-[2-(1,3-thiazol-2-yl)propylamino]-1H-pyrimidin-6-one
SMILESCC(CNc1nc[nH]c(=O)c1Cl)c1nccs1
InChIInChI=1S/C10H11ClN4OS/c1-6(10-12-2-3-17-10)4-13-8-7(11)9(16)15-5-14-8/h2-3,5-6H,4H2,1H3,(H2,13,14,15,16)
InChIKeyQZKPEZWIILKTIJ-UHFFFAOYSA-N
XLogP2.10
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.75
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[2-(1,3-thiazol-2-yl)propylamino]-1H-pyrimidin-6-one?
The IUPAC name of 5-chloro-4-[2-(1,3-thiazol-2-yl)propylamino]-1H-pyrimidin-6-one (CID 136896856) is 5-chloro-4-[2-(1,3-thiazol-2-yl)propylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-chloro-4-[2-(1,3-thiazol-2-yl)propylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-chloro-4-[2-(1,3-thiazol-2-yl)propylamino]-1H-pyrimidin-6-one is CC(CNc1nc[nH]c(=O)c1Cl)c1nccs1.
What is the InChIKey of 5-chloro-4-[2-(1,3-thiazol-2-yl)propylamino]-1H-pyrimidin-6-one?
The InChIKey is QZKPEZWIILKTIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN4OS/c1-6(10-12-2-3-17-10)4-13-8-7(11)9(16)15-5-14-8/h2-3,5-6H,4H2,1H3,(H2,13,14,15,16).
What are the key properties of 5-chloro-4-[2-(1,3-thiazol-2-yl)propylamino]-1H-pyrimidin-6-one?
5-chloro-4-[2-(1,3-thiazol-2-yl)propylamino]-1H-pyrimidin-6-one has a molecular weight of 270.75 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[2-(1,3-thiazol-2-yl)propylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136896856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).