2-(5-bromo-3-pyridinyl)-4-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine

C14H15BrN4 — CID 114741288

IUPAC2-(5-bromo-3-pyridinyl)-4-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
SMILESCC(C)c1nc(-c2cncc(Br)c2)nc2c1CNC2
InChIInChI=1S/C14H15BrN4/c1-8(2)13-11-6-17-7-12(11)18-14(19-13)9-3-10(15)5-16-4-9/h3-5,8,17H,6-7H2,1-2H3
InChIKeyQXDYJNZGRNOFGE-UHFFFAOYSA-N
MW319.21 g/mol
LogP3.03
Rot. Bonds2

About 2-(5-bromo-3-pyridinyl)-4-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine

2-(5-bromo-3-pyridinyl)-4-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine (PubChem CID 114741288) has the molecular formula C14H15BrN4 and a molecular weight of 319.21 g/mol. Its IUPAC name is 2-(5-bromo-3-pyridinyl)-4-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine.

Molecular Properties

Compound Name2-(5-bromo-3-pyridinyl)-4-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
PubChem CID114741288
Molecular FormulaC14H15BrN4
Molecular Weight319.21 g/mol
Exact Mass318.05
IUPAC Name2-(5-bromo-3-pyridinyl)-4-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
SMILESCC(C)c1nc(-c2cncc(Br)c2)nc2c1CNC2
InChIInChI=1S/C14H15BrN4/c1-8(2)13-11-6-17-7-12(11)18-14(19-13)9-3-10(15)5-16-4-9/h3-5,8,17H,6-7H2,1-2H3
InChIKeyQXDYJNZGRNOFGE-UHFFFAOYSA-N
XLogP3.03
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.21
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(5-bromo-3-pyridinyl)-4-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine with MolForge

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Related Compounds

2-(5-bromo-3-pyridinyl)-4-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114740096
2-(3-bromo-5-fluorophenyl)-4-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114741283
2-(2-bromo-5-fluorophenyl)-4-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 107924841
ethane;2-methyl-4-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 176927423
2-(6-methoxypyrimidin-4-yl)-4-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 102953176
2-(2-methylpropyl)-4-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114741386
2-(3-fluoro-5-methylphenyl)-4-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 114742883
2-butan-2-yl-4-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114741302
2-(4-fluoro-3-methylphenyl)-4-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 114742912
2-(1-methylsulfonylethyl)-4-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114741413
2-(5-bromo-3-pyridinyl)-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one
CID 136941073
2-benzyl-4-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114741385

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-3-pyridinyl)-4-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
The IUPAC name of 2-(5-bromo-3-pyridinyl)-4-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine (CID 114741288) is 2-(5-bromo-3-pyridinyl)-4-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine.
What is the SMILES notation for 2-(5-bromo-3-pyridinyl)-4-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
The canonical SMILES for 2-(5-bromo-3-pyridinyl)-4-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine is CC(C)c1nc(-c2cncc(Br)c2)nc2c1CNC2.
What is the InChIKey of 2-(5-bromo-3-pyridinyl)-4-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
The InChIKey is QXDYJNZGRNOFGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN4/c1-8(2)13-11-6-17-7-12(11)18-14(19-13)9-3-10(15)5-16-4-9/h3-5,8,17H,6-7H2,1-2H3.
What are the key properties of 2-(5-bromo-3-pyridinyl)-4-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
2-(5-bromo-3-pyridinyl)-4-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine has a molecular weight of 319.21 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-3-pyridinyl)-4-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine is sourced from PubChem (CID 114741288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).