3-[(Z)-3-chloro-2-methylprop-2-enyl]-1-methylpyrimidine-2,4-dione

C9H11ClN2O2 — CID 106440150

IUPAC3-[(Z)-3-chloro-2-methylprop-2-enyl]-1-methylpyrimidine-2,4-dione
SMILESC/C(=C/Cl)Cn1c(=O)ccn(C)c1=O
InChIInChI=1S/C9H11ClN2O2/c1-7(5-10)6-12-8(13)3-4-11(2)9(12)14/h3-5H,6H2,1-2H3/b7-5-
InChIKeyJFYRKUVOUJSQER-ALCCZGGFSA-N
MW214.65 g/mol
LogP0.69
Rot. Bonds2

About 3-[(Z)-3-chloro-2-methylprop-2-enyl]-1-methylpyrimidine-2,4-dione

3-[(Z)-3-chloro-2-methylprop-2-enyl]-1-methylpyrimidine-2,4-dione (PubChem CID 106440150) has the molecular formula C9H11ClN2O2 and a molecular weight of 214.65 g/mol. Its IUPAC name is 3-[(Z)-3-chloro-2-methylprop-2-enyl]-1-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name3-[(Z)-3-chloro-2-methylprop-2-enyl]-1-methylpyrimidine-2,4-dione
PubChem CID106440150
Molecular FormulaC9H11ClN2O2
Molecular Weight214.65 g/mol
Exact Mass214.05
IUPAC Name3-[(Z)-3-chloro-2-methylprop-2-enyl]-1-methylpyrimidine-2,4-dione
SMILESC/C(=C/Cl)Cn1c(=O)ccn(C)c1=O
InChIInChI=1S/C9H11ClN2O2/c1-7(5-10)6-12-8(13)3-4-11(2)9(12)14/h3-5H,6H2,1-2H3/b7-5-
InChIKeyJFYRKUVOUJSQER-ALCCZGGFSA-N
XLogP0.69
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.65
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(Z)-3-chloro-2-methylprop-2-enyl]-1-methylpyrimidine-2,4-dione?
The IUPAC name of 3-[(Z)-3-chloro-2-methylprop-2-enyl]-1-methylpyrimidine-2,4-dione (CID 106440150) is 3-[(Z)-3-chloro-2-methylprop-2-enyl]-1-methylpyrimidine-2,4-dione.
What is the SMILES notation for 3-[(Z)-3-chloro-2-methylprop-2-enyl]-1-methylpyrimidine-2,4-dione?
The canonical SMILES for 3-[(Z)-3-chloro-2-methylprop-2-enyl]-1-methylpyrimidine-2,4-dione is C/C(=C/Cl)Cn1c(=O)ccn(C)c1=O.
What is the InChIKey of 3-[(Z)-3-chloro-2-methylprop-2-enyl]-1-methylpyrimidine-2,4-dione?
The InChIKey is JFYRKUVOUJSQER-ALCCZGGFSA-N. The full InChI is InChI=1S/C9H11ClN2O2/c1-7(5-10)6-12-8(13)3-4-11(2)9(12)14/h3-5H,6H2,1-2H3/b7-5-.
What are the key properties of 3-[(Z)-3-chloro-2-methylprop-2-enyl]-1-methylpyrimidine-2,4-dione?
3-[(Z)-3-chloro-2-methylprop-2-enyl]-1-methylpyrimidine-2,4-dione has a molecular weight of 214.65 g/mol, XLogP of 0.69, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-3-chloro-2-methylprop-2-enyl]-1-methylpyrimidine-2,4-dione is sourced from PubChem (CID 106440150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).