2-(4-bromothiophen-2-yl)-4-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine

C12H12BrN3S — CID 114737697

IUPAC2-(4-bromothiophen-2-yl)-4-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
SMILESCc1nc(-c2cc(Br)cs2)nc2c1CNCC2
InChIInChI=1S/C12H12BrN3S/c1-7-9-5-14-3-2-10(9)16-12(15-7)11-4-8(13)6-17-11/h4,6,14H,2-3,5H2,1H3
InChIKeyYGYIPPJRZGRSBO-UHFFFAOYSA-N
MW310.22 g/mol
LogP2.92
Rot. Bonds1

About 2-(4-bromothiophen-2-yl)-4-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine

2-(4-bromothiophen-2-yl)-4-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine (PubChem CID 114737697) has the molecular formula C12H12BrN3S and a molecular weight of 310.22 g/mol. Its IUPAC name is 2-(4-bromothiophen-2-yl)-4-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name2-(4-bromothiophen-2-yl)-4-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
PubChem CID114737697
Molecular FormulaC12H12BrN3S
Molecular Weight310.22 g/mol
Exact Mass308.99
IUPAC Name2-(4-bromothiophen-2-yl)-4-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
SMILESCc1nc(-c2cc(Br)cs2)nc2c1CNCC2
InChIInChI=1S/C12H12BrN3S/c1-7-9-5-14-3-2-10(9)16-12(15-7)11-4-8(13)6-17-11/h4,6,14H,2-3,5H2,1H3
InChIKeyYGYIPPJRZGRSBO-UHFFFAOYSA-N
XLogP2.92
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.22
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)-1,3-thiazole
CID 114737886
4-(4-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)-1,3-thiazole
CID 114737819
4-methyl-2-(4-methylphenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 114737647
2-(4-bromothiophen-2-yl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine
CID 62549803
2-(4-bromothiophen-2-yl)-4-chloro-5-iodo-6-methylpyrimidine
CID 66294167
N-(4-bromothiophen-2-yl)-N,2-dimethyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
CID 115145270
2-(4-fluoro-3-methylphenyl)-4-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 114737805
2-(4-bromothiophen-2-yl)-5-iodo-N,6-dimethylpyrimidin-4-amine
CID 66306503
2-(4-methoxyphenyl)-4-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 114737684
4-methyl-2-(1-methylimidazol-2-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 114737793
4-methyl-2-(2-methylfuran-3-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 114737862
2-(4-bromothiophen-2-yl)-N,6-dimethyl-5-propan-2-ylpyrimidin-4-amine
CID 63481025

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromothiophen-2-yl)-4-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The IUPAC name of 2-(4-bromothiophen-2-yl)-4-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine (CID 114737697) is 2-(4-bromothiophen-2-yl)-4-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine.
What is the SMILES notation for 2-(4-bromothiophen-2-yl)-4-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The canonical SMILES for 2-(4-bromothiophen-2-yl)-4-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine is Cc1nc(-c2cc(Br)cs2)nc2c1CNCC2.
What is the InChIKey of 2-(4-bromothiophen-2-yl)-4-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The InChIKey is YGYIPPJRZGRSBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3S/c1-7-9-5-14-3-2-10(9)16-12(15-7)11-4-8(13)6-17-11/h4,6,14H,2-3,5H2,1H3.
What are the key properties of 2-(4-bromothiophen-2-yl)-4-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
2-(4-bromothiophen-2-yl)-4-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine has a molecular weight of 310.22 g/mol, XLogP of 2.92, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromothiophen-2-yl)-4-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine is sourced from PubChem (CID 114737697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).