6-chloro-3-(1-methoxy-2-methylpropan-2-yl)-5-propan-2-yl-1H-pyrimidine-2,4-dione

C12H19ClN2O3 — CID 113470903

IUPAC6-chloro-3-(1-methoxy-2-methylpropan-2-yl)-5-propan-2-yl-1H-pyrimidine-2,4-dione
SMILESCOCC(C)(C)n1c(=O)[nH]c(Cl)c(C(C)C)c1=O
InChIInChI=1S/C12H19ClN2O3/c1-7(2)8-9(13)14-11(17)15(10(8)16)12(3,4)6-18-5/h7H,6H2,1-5H3,(H,14,17)
InChIKeyJIKSNPUJNXSTSZ-UHFFFAOYSA-N
MW274.75 g/mol
LogP1.69
Rot. Bonds4

About 6-chloro-3-(1-methoxy-2-methylpropan-2-yl)-5-propan-2-yl-1H-pyrimidine-2,4-dione

6-chloro-3-(1-methoxy-2-methylpropan-2-yl)-5-propan-2-yl-1H-pyrimidine-2,4-dione (PubChem CID 113470903) has the molecular formula C12H19ClN2O3 and a molecular weight of 274.75 g/mol. Its IUPAC name is 6-chloro-3-(1-methoxy-2-methylpropan-2-yl)-5-propan-2-yl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-chloro-3-(1-methoxy-2-methylpropan-2-yl)-5-propan-2-yl-1H-pyrimidine-2,4-dione
PubChem CID113470903
Molecular FormulaC12H19ClN2O3
Molecular Weight274.75 g/mol
Exact Mass274.11
IUPAC Name6-chloro-3-(1-methoxy-2-methylpropan-2-yl)-5-propan-2-yl-1H-pyrimidine-2,4-dione
SMILESCOCC(C)(C)n1c(=O)[nH]c(Cl)c(C(C)C)c1=O
InChIInChI=1S/C12H19ClN2O3/c1-7(2)8-9(13)14-11(17)15(10(8)16)12(3,4)6-18-5/h7H,6H2,1-5H3,(H,14,17)
InChIKeyJIKSNPUJNXSTSZ-UHFFFAOYSA-N
XLogP1.69
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.75
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-5-propan-2-yl-3-(2,3,3-trimethylbutyl)-1H-pyrimidine-2,4-dione
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6-chloro-5-propan-2-yl-3-(2,2,3,3-tetrafluoropropyl)-1H-pyrimidine-2,4-dione
CID 114169287
6-chloro-3-(3-methylsulfonylpropyl)-5-propan-2-yl-1H-pyrimidine-2,4-dione
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5-ethoxy-3-(1-methoxy-2-methylpropan-2-yl)-1H-benzimidazol-2-one
CID 54017342
6-chloro-3-(4-fluoro-3-methoxyphenyl)-5-propan-2-yl-1H-pyrimidine-2,4-dione
CID 114841229
6-chloro-5-propan-2-yl-3-[2-(1,3-thiazol-4-yl)ethyl]-1H-pyrimidine-2,4-dione
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3-(6-hydroxy-2,4-dioxo-5-propan-2-ylpyrimidin-1-yl)-3-methylbutanamide
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6-chloro-3-(2-methylsulfanylphenyl)-5-propan-2-yl-1H-pyrimidine-2,4-dione
CID 107647398
6-chloro-3-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-5-propan-2-yl-1H-pyrimidine-2,4-dione
CID 106302336
3-tert-butyl-6-(methoxymethyl)-1H-pyrimidine-2,4-dione
CID 122239218
6-chloro-1-ethyl-3-(methoxymethyl)-5-propan-2-ylpyrimidine-2,4-dione
CID 58203551
2-chloro-1,3-dimethoxy-2-methylpropane
CID 10986447

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(1-methoxy-2-methylpropan-2-yl)-5-propan-2-yl-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-chloro-3-(1-methoxy-2-methylpropan-2-yl)-5-propan-2-yl-1H-pyrimidine-2,4-dione (CID 113470903) is 6-chloro-3-(1-methoxy-2-methylpropan-2-yl)-5-propan-2-yl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-chloro-3-(1-methoxy-2-methylpropan-2-yl)-5-propan-2-yl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-chloro-3-(1-methoxy-2-methylpropan-2-yl)-5-propan-2-yl-1H-pyrimidine-2,4-dione is COCC(C)(C)n1c(=O)[nH]c(Cl)c(C(C)C)c1=O.
What is the InChIKey of 6-chloro-3-(1-methoxy-2-methylpropan-2-yl)-5-propan-2-yl-1H-pyrimidine-2,4-dione?
The InChIKey is JIKSNPUJNXSTSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2O3/c1-7(2)8-9(13)14-11(17)15(10(8)16)12(3,4)6-18-5/h7H,6H2,1-5H3,(H,14,17).
What are the key properties of 6-chloro-3-(1-methoxy-2-methylpropan-2-yl)-5-propan-2-yl-1H-pyrimidine-2,4-dione?
6-chloro-3-(1-methoxy-2-methylpropan-2-yl)-5-propan-2-yl-1H-pyrimidine-2,4-dione has a molecular weight of 274.75 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(1-methoxy-2-methylpropan-2-yl)-5-propan-2-yl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 113470903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).