4-bromo-2-[(2-pyrimidin-5-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]-1,3-thiazole

C15H13BrN6S — CID 24930879

IUPAC4-bromo-2-[(2-pyrimidin-5-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]-1,3-thiazole
SMILESBrc1csc(CN2CCc3cnc(-c4cncnc4)nc3C2)n1
InChIInChI=1S/C15H13BrN6S/c16-13-8-23-14(21-13)7-22-2-1-10-5-19-15(20-12(10)6-22)11-3-17-9-18-4-11/h3-5,8-9H,1-2,6-7H2
InChIKeyJRFFWXCTUMCQOD-UHFFFAOYSA-N
MW389.28 g/mol
LogP2.71
Rot. Bonds3

About 4-bromo-2-[(2-pyrimidin-5-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]-1,3-thiazole

4-bromo-2-[(2-pyrimidin-5-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]-1,3-thiazole (PubChem CID 24930879) has the molecular formula C15H13BrN6S and a molecular weight of 389.28 g/mol. Its IUPAC name is 4-bromo-2-[(2-pyrimidin-5-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]-1,3-thiazole.

Molecular Properties

Compound Name4-bromo-2-[(2-pyrimidin-5-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]-1,3-thiazole
PubChem CID24930879
Molecular FormulaC15H13BrN6S
Molecular Weight389.28 g/mol
Exact Mass388.01
IUPAC Name4-bromo-2-[(2-pyrimidin-5-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]-1,3-thiazole
SMILESBrc1csc(CN2CCc3cnc(-c4cncnc4)nc3C2)n1
InChIInChI=1S/C15H13BrN6S/c16-13-8-23-14(21-13)7-22-2-1-10-5-19-15(20-12(10)6-22)11-3-17-9-18-4-11/h3-5,8-9H,1-2,6-7H2
InChIKeyJRFFWXCTUMCQOD-UHFFFAOYSA-N
XLogP2.71
TPSA67.69 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.28
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-bromo-2-[(2-pyrimidin-5-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]-1,3-thiazole with MolForge

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Related Compounds

4-methyl-5-[(2-pyrimidin-5-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]-1,3-thiazole
CID 24930900
2-(4-chlorophenyl)-7-[(4,6-dichloropyrimidin-5-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 24930863
7-[(4,6-dichloropyrimidin-5-yl)methyl]-2-phenyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 24930870
4-methyl-2-[(2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,3-thiazole
CID 24909127
7-ethyl-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 24930411
2-pyridin-4-yl-7-(pyridin-3-ylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 24931692
2-pyrimidin-5-yl-6-[(1,4,5-trimethylimidazol-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24917550
2,4-dimethyl-5-[(2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,3-thiazole
CID 24913204
6-[(5-chlorofuran-2-yl)methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24912826
2-pyrimidin-5-yl-6-[(5-thiophen-3-ylfuran-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24916018
2-pyridin-4-yl-6-(pyrimidin-5-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24913429
7-[(2-pyrimidin-5-ylpyrimidin-5-yl)methyl]-5,6,8,9-tetrahydropyrimido[4,5-d]azepine
CID 167907458

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[(2-pyrimidin-5-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]-1,3-thiazole?
The IUPAC name of 4-bromo-2-[(2-pyrimidin-5-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]-1,3-thiazole (CID 24930879) is 4-bromo-2-[(2-pyrimidin-5-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]-1,3-thiazole.
What is the SMILES notation for 4-bromo-2-[(2-pyrimidin-5-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]-1,3-thiazole?
The canonical SMILES for 4-bromo-2-[(2-pyrimidin-5-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]-1,3-thiazole is Brc1csc(CN2CCc3cnc(-c4cncnc4)nc3C2)n1.
What is the InChIKey of 4-bromo-2-[(2-pyrimidin-5-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]-1,3-thiazole?
The InChIKey is JRFFWXCTUMCQOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN6S/c16-13-8-23-14(21-13)7-22-2-1-10-5-19-15(20-12(10)6-22)11-3-17-9-18-4-11/h3-5,8-9H,1-2,6-7H2.
What are the key properties of 4-bromo-2-[(2-pyrimidin-5-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]-1,3-thiazole?
4-bromo-2-[(2-pyrimidin-5-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]-1,3-thiazole has a molecular weight of 389.28 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[(2-pyrimidin-5-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]-1,3-thiazole is sourced from PubChem (CID 24930879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).