1-ethyl-3-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrimidine-2,4-dione

C13H17N3O2S — CID 63811376

IUPAC1-ethyl-3-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrimidine-2,4-dione
SMILESCCn1ccc(=O)n(Cc2csc(C(C)C)n2)c1=O
InChIInChI=1S/C13H17N3O2S/c1-4-15-6-5-11(17)16(13(15)18)7-10-8-19-12(14-10)9(2)3/h5-6,8-9H,4,7H2,1-3H3
InChIKeyOKMNPKIDXPMERI-UHFFFAOYSA-N
MW279.37 g/mol
LogP1.66
Rot. Bonds4

About 1-ethyl-3-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrimidine-2,4-dione

1-ethyl-3-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrimidine-2,4-dione (PubChem CID 63811376) has the molecular formula C13H17N3O2S and a molecular weight of 279.37 g/mol. Its IUPAC name is 1-ethyl-3-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-ethyl-3-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrimidine-2,4-dione
PubChem CID63811376
Molecular FormulaC13H17N3O2S
Molecular Weight279.37 g/mol
Exact Mass279.10
IUPAC Name1-ethyl-3-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrimidine-2,4-dione
SMILESCCn1ccc(=O)n(Cc2csc(C(C)C)n2)c1=O
InChIInChI=1S/C13H17N3O2S/c1-4-15-6-5-11(17)16(13(15)18)7-10-8-19-12(14-10)9(2)3/h5-6,8-9H,4,7H2,1-3H3
InChIKeyOKMNPKIDXPMERI-UHFFFAOYSA-N
XLogP1.66
TPSA56.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrimidine-2,4-dione?
The IUPAC name of 1-ethyl-3-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrimidine-2,4-dione (CID 63811376) is 1-ethyl-3-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-ethyl-3-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrimidine-2,4-dione?
The canonical SMILES for 1-ethyl-3-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrimidine-2,4-dione is CCn1ccc(=O)n(Cc2csc(C(C)C)n2)c1=O.
What is the InChIKey of 1-ethyl-3-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrimidine-2,4-dione?
The InChIKey is OKMNPKIDXPMERI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S/c1-4-15-6-5-11(17)16(13(15)18)7-10-8-19-12(14-10)9(2)3/h5-6,8-9H,4,7H2,1-3H3.
What are the key properties of 1-ethyl-3-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrimidine-2,4-dione?
1-ethyl-3-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrimidine-2,4-dione has a molecular weight of 279.37 g/mol, XLogP of 1.66, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 63811376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).