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

C14H14BrN3 — CID 114742183

IUPAC2-(3-bromophenyl)-4-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
SMILESCc1nc(-c2cccc(Br)c2)nc2c1CCNC2
InChIInChI=1S/C14H14BrN3/c1-9-12-5-6-16-8-13(12)18-14(17-9)10-3-2-4-11(15)7-10/h2-4,7,16H,5-6,8H2,1H3
InChIKeyUXJYUEAPXNUVHI-UHFFFAOYSA-N
MW304.19 g/mol
LogP2.86
Rot. Bonds1

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

2-(3-bromophenyl)-4-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine (PubChem CID 114742183) has the molecular formula C14H14BrN3 and a molecular weight of 304.19 g/mol. Its IUPAC name is 2-(3-bromophenyl)-4-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine.

Molecular Properties

Compound Name2-(3-bromophenyl)-4-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
PubChem CID114742183
Molecular FormulaC14H14BrN3
Molecular Weight304.19 g/mol
Exact Mass303.04
IUPAC Name2-(3-bromophenyl)-4-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
SMILESCc1nc(-c2cccc(Br)c2)nc2c1CCNC2
InChIInChI=1S/C14H14BrN3/c1-9-12-5-6-16-8-13(12)18-14(17-9)10-3-2-4-11(15)7-10/h2-4,7,16H,5-6,8H2,1H3
InChIKeyUXJYUEAPXNUVHI-UHFFFAOYSA-N
XLogP2.86
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.19
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methoxyphenyl)-4-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 114742252
2-(3-chlorophenyl)-4-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114740114
2-(3-bromophenyl)-4,5,6,7-tetrahydro-[1,3]oxazolo[4,5-c]pyridine
CID 131872662
2-(5-bromo-3-pyridinyl)-4-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114740096
4-methyl-2-pyridin-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;dihydrochloride
CID 71298613
2-(3-bromo-4-fluorophenyl)-4-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114740177
2-(3-bromo-4-methylphenyl)-4-ethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 107916117
4-methyl-2-(4-methylphenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 114737647
4-ethyl-2-(3-methoxyphenyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 114742485
2-(3-bromophenyl)-5-fluoro-6-methylpyrimidin-4-amine
CID 66000373
2-[2-(3-bromophenyl)-4,6-dimethylpyrimidin-5-yl]ethanol
CID 115069802
2-(3-bromophenyl)-6-chloro-4-methyl-7H-pyrrolo[2,3-d]pyrimidine
CID 84605237

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-4-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine?
The IUPAC name of 2-(3-bromophenyl)-4-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine (CID 114742183) is 2-(3-bromophenyl)-4-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine.
What is the SMILES notation for 2-(3-bromophenyl)-4-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine?
The canonical SMILES for 2-(3-bromophenyl)-4-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine is Cc1nc(-c2cccc(Br)c2)nc2c1CCNC2.
What is the InChIKey of 2-(3-bromophenyl)-4-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine?
The InChIKey is UXJYUEAPXNUVHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3/c1-9-12-5-6-16-8-13(12)18-14(17-9)10-3-2-4-11(15)7-10/h2-4,7,16H,5-6,8H2,1H3.
What are the key properties of 2-(3-bromophenyl)-4-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine?
2-(3-bromophenyl)-4-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine has a molecular weight of 304.19 g/mol, XLogP of 2.86, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-4-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine is sourced from PubChem (CID 114742183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).