5-bromo-6-methyl-3-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-one

C12H14BrN3OS — CID 66309811

IUPAC5-bromo-6-methyl-3-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-one
SMILESCCCc1nc(Cn2cnc(C)c(Br)c2=O)cs1
InChIInChI=1S/C12H14BrN3OS/c1-3-4-10-15-9(6-18-10)5-16-7-14-8(2)11(13)12(16)17/h6-7H,3-5H2,1-2H3
InChIKeyOYGMBZMCTPXEQF-UHFFFAOYSA-N
MW328.24 g/mol
LogP2.77
Rot. Bonds4

About 5-bromo-6-methyl-3-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-one

5-bromo-6-methyl-3-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-one (PubChem CID 66309811) has the molecular formula C12H14BrN3OS and a molecular weight of 328.24 g/mol. Its IUPAC name is 5-bromo-6-methyl-3-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-one.

Molecular Properties

Compound Name5-bromo-6-methyl-3-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-one
PubChem CID66309811
Molecular FormulaC12H14BrN3OS
Molecular Weight328.24 g/mol
Exact Mass327.00
IUPAC Name5-bromo-6-methyl-3-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-one
SMILESCCCc1nc(Cn2cnc(C)c(Br)c2=O)cs1
InChIInChI=1S/C12H14BrN3OS/c1-3-4-10-15-9(6-18-10)5-16-7-14-8(2)11(13)12(16)17/h6-7H,3-5H2,1-2H3
InChIKeyOYGMBZMCTPXEQF-UHFFFAOYSA-N
XLogP2.77
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.24
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(2-Cyclopropyl-1,3-thiazol-4-yl)methyl]-3,4-dihydropyrimidin-4-one
CID 118740628
5-Bromo-3-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]pyrimidin-4-one
CID 75356564
3-[(2-Methyl-1,3-thiazol-4-yl)methyl]-6-(trifluoromethyl)-3,4-dihydropyrimidin-4-one
CID 126857674
4-Bromo-5-[(2-ethyl-1,3-thiazol-4-yl)methyl-methylamino]-2-methylpyridazin-3-one
CID 56789095
5-Bromo-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridin-2-one
CID 60746622
5-Bromo-1-[(2-ethyl-1,3-thiazol-4-yl)methyl]pyridin-2-one
CID 60746945
5-Bromo-1-[(2-propyl-1,3-thiazol-4-yl)methyl]pyridin-2-one
CID 60747002
2-bromo-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]butanamide
CID 62855821
2-bromo-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide
CID 63680496
5-Iodo-3-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrimidin-4-one
CID 66308218
5-Bromo-3-[(2-ethyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-one
CID 66308288
3-[(2-Ethyl-1,3-thiazol-4-yl)methyl]-5-iodopyrimidin-4-one
CID 66308425

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-methyl-3-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-one?
The IUPAC name of 5-bromo-6-methyl-3-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-one (CID 66309811) is 5-bromo-6-methyl-3-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-one.
What is the SMILES notation for 5-bromo-6-methyl-3-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-one?
The canonical SMILES for 5-bromo-6-methyl-3-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-one is CCCc1nc(Cn2cnc(C)c(Br)c2=O)cs1.
What is the InChIKey of 5-bromo-6-methyl-3-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-one?
The InChIKey is OYGMBZMCTPXEQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3OS/c1-3-4-10-15-9(6-18-10)5-16-7-14-8(2)11(13)12(16)17/h6-7H,3-5H2,1-2H3.
What are the key properties of 5-bromo-6-methyl-3-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-one?
5-bromo-6-methyl-3-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-one has a molecular weight of 328.24 g/mol, XLogP of 2.77, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-methyl-3-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-one is sourced from PubChem (CID 66309811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).