2-[1,4-dimethyl-6-oxo-2-(propylamino)pyrimidin-5-yl]ethyl hypochlorite

C11H18ClN3O2 — CID 139800781

IUPAC2-[1,4-dimethyl-6-oxo-2-(propylamino)pyrimidin-5-yl]ethyl hypochlorite
SMILESCCCNc1nc(C)c(CCOCl)c(=O)n1C
InChIInChI=1S/C11H18ClN3O2/c1-4-6-13-11-14-8(2)9(5-7-17-12)10(16)15(11)3/h4-7H2,1-3H3,(H,13,14)
InChIKeyCVNFAHXNJLAPDX-UHFFFAOYSA-N
MW259.74 g/mol
LogP1.62
Rot. Bonds6

About 2-[1,4-dimethyl-6-oxo-2-(propylamino)pyrimidin-5-yl]ethyl hypochlorite

2-[1,4-dimethyl-6-oxo-2-(propylamino)pyrimidin-5-yl]ethyl hypochlorite (PubChem CID 139800781) has the molecular formula C11H18ClN3O2 and a molecular weight of 259.74 g/mol. Its IUPAC name is 2-[1,4-dimethyl-6-oxo-2-(propylamino)pyrimidin-5-yl]ethyl hypochlorite.

Molecular Properties

Compound Name2-[1,4-dimethyl-6-oxo-2-(propylamino)pyrimidin-5-yl]ethyl hypochlorite
PubChem CID139800781
Molecular FormulaC11H18ClN3O2
Molecular Weight259.74 g/mol
Exact Mass259.11
IUPAC Name2-[1,4-dimethyl-6-oxo-2-(propylamino)pyrimidin-5-yl]ethyl hypochlorite
SMILESCCCNc1nc(C)c(CCOCl)c(=O)n1C
InChIInChI=1S/C11H18ClN3O2/c1-4-6-13-11-14-8(2)9(5-7-17-12)10(16)15(11)3/h4-7H2,1-3H3,(H,13,14)
InChIKeyCVNFAHXNJLAPDX-UHFFFAOYSA-N
XLogP1.62
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.74
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1,4-dimethyl-6-oxo-2-(propylamino)pyrimidin-5-yl]ethyl hypochlorite?
The IUPAC name of 2-[1,4-dimethyl-6-oxo-2-(propylamino)pyrimidin-5-yl]ethyl hypochlorite (CID 139800781) is 2-[1,4-dimethyl-6-oxo-2-(propylamino)pyrimidin-5-yl]ethyl hypochlorite.
What is the SMILES notation for 2-[1,4-dimethyl-6-oxo-2-(propylamino)pyrimidin-5-yl]ethyl hypochlorite?
The canonical SMILES for 2-[1,4-dimethyl-6-oxo-2-(propylamino)pyrimidin-5-yl]ethyl hypochlorite is CCCNc1nc(C)c(CCOCl)c(=O)n1C.
What is the InChIKey of 2-[1,4-dimethyl-6-oxo-2-(propylamino)pyrimidin-5-yl]ethyl hypochlorite?
The InChIKey is CVNFAHXNJLAPDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3O2/c1-4-6-13-11-14-8(2)9(5-7-17-12)10(16)15(11)3/h4-7H2,1-3H3,(H,13,14).
What are the key properties of 2-[1,4-dimethyl-6-oxo-2-(propylamino)pyrimidin-5-yl]ethyl hypochlorite?
2-[1,4-dimethyl-6-oxo-2-(propylamino)pyrimidin-5-yl]ethyl hypochlorite has a molecular weight of 259.74 g/mol, XLogP of 1.62, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1,4-dimethyl-6-oxo-2-(propylamino)pyrimidin-5-yl]ethyl hypochlorite is sourced from PubChem (CID 139800781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).