2-benzyl-4-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine

C16H19N3 — CID 114741385

IUPAC2-benzyl-4-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
SMILESCC(C)c1nc(Cc2ccccc2)nc2c1CNC2
InChIInChI=1S/C16H19N3/c1-11(2)16-13-9-17-10-14(13)18-15(19-16)8-12-6-4-3-5-7-12/h3-7,11,17H,8-10H2,1-2H3
InChIKeyPORIZSNONIJPMQ-UHFFFAOYSA-N
MW253.35 g/mol
LogP2.79
Rot. Bonds3

About 2-benzyl-4-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine

2-benzyl-4-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine (PubChem CID 114741385) has the molecular formula C16H19N3 and a molecular weight of 253.35 g/mol. Its IUPAC name is 2-benzyl-4-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine.

Molecular Properties

Compound Name2-benzyl-4-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
PubChem CID114741385
Molecular FormulaC16H19N3
Molecular Weight253.35 g/mol
Exact Mass253.16
IUPAC Name2-benzyl-4-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
SMILESCC(C)c1nc(Cc2ccccc2)nc2c1CNC2
InChIInChI=1S/C16H19N3/c1-11(2)16-13-9-17-10-14(13)18-15(19-16)8-12-6-4-3-5-7-12/h3-7,11,17H,8-10H2,1-2H3
InChIKeyPORIZSNONIJPMQ-UHFFFAOYSA-N
XLogP2.79
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methylpropyl)-4-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114741386
4-methyl-2-[(4-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl)methyl]-1,3-thiazole
CID 114741278
4-propan-2-yl-2-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114741391
2-[(2-bromophenyl)methyl]-4-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 114742877
N,N-dimethyl-2-(4-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl)ethanamine
CID 114741377
2-benzyl-4-propyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 114742724
2-benzyl-5-bromo-6-propan-2-ylpyrimidin-4-amine
CID 66300487
2-[2-(2-methoxyethoxy)ethyl]-4-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 102929710
ethane;2-methyl-4-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 176927423
2-butan-2-yl-4-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114741302
2-[(3-methoxyphenyl)methyl]-4-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114739988
2-[(3-chlorophenyl)methyl]-4-ethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114740703

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-4-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
The IUPAC name of 2-benzyl-4-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine (CID 114741385) is 2-benzyl-4-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine.
What is the SMILES notation for 2-benzyl-4-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
The canonical SMILES for 2-benzyl-4-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine is CC(C)c1nc(Cc2ccccc2)nc2c1CNC2.
What is the InChIKey of 2-benzyl-4-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
The InChIKey is PORIZSNONIJPMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3/c1-11(2)16-13-9-17-10-14(13)18-15(19-16)8-12-6-4-3-5-7-12/h3-7,11,17H,8-10H2,1-2H3.
What are the key properties of 2-benzyl-4-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
2-benzyl-4-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine has a molecular weight of 253.35 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-4-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine is sourced from PubChem (CID 114741385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).