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

C12H15N3O2S — CID 63810438

IUPAC1-methyl-3-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrimidine-2,4-dione
SMILESCC(C)c1nc(Cn2c(=O)ccn(C)c2=O)cs1
InChIInChI=1S/C12H15N3O2S/c1-8(2)11-13-9(7-18-11)6-15-10(16)4-5-14(3)12(15)17/h4-5,7-8H,6H2,1-3H3
InChIKeyZMYAUUAMWVNPOE-UHFFFAOYSA-N
MW265.34 g/mol
LogP1.18
Rot. Bonds3

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

1-methyl-3-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrimidine-2,4-dione (PubChem CID 63810438) has the molecular formula C12H15N3O2S and a molecular weight of 265.34 g/mol. Its IUPAC name is 1-methyl-3-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-methyl-3-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrimidine-2,4-dione
PubChem CID63810438
Molecular FormulaC12H15N3O2S
Molecular Weight265.34 g/mol
Exact Mass265.09
IUPAC Name1-methyl-3-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrimidine-2,4-dione
SMILESCC(C)c1nc(Cn2c(=O)ccn(C)c2=O)cs1
InChIInChI=1S/C12H15N3O2S/c1-8(2)11-13-9(7-18-11)6-15-10(16)4-5-14(3)12(15)17/h4-5,7-8H,6H2,1-3H3
InChIKeyZMYAUUAMWVNPOE-UHFFFAOYSA-N
XLogP1.18
TPSA56.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrimidine-2,4-dione?
The IUPAC name of 1-methyl-3-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrimidine-2,4-dione (CID 63810438) is 1-methyl-3-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-methyl-3-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrimidine-2,4-dione?
The canonical SMILES for 1-methyl-3-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrimidine-2,4-dione is CC(C)c1nc(Cn2c(=O)ccn(C)c2=O)cs1.
What is the InChIKey of 1-methyl-3-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrimidine-2,4-dione?
The InChIKey is ZMYAUUAMWVNPOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2S/c1-8(2)11-13-9(7-18-11)6-15-10(16)4-5-14(3)12(15)17/h4-5,7-8H,6H2,1-3H3.
What are the key properties of 1-methyl-3-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrimidine-2,4-dione?
1-methyl-3-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrimidine-2,4-dione has a molecular weight of 265.34 g/mol, XLogP of 1.18, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 63810438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).