4-phenyl-6-[(2S)-pyrrolidin-2-yl]-5H-pyrrolo[3,2-d]pyrimidine

C16H16N4 — CID 58425771

IUPAC4-phenyl-6-[(2S)-pyrrolidin-2-yl]-5H-pyrrolo[3,2-d]pyrimidine
SMILESc1ccc(-c2ncnc3cc([C@@H]4CCCN4)[nH]c23)cc1
InChIInChI=1S/C16H16N4/c1-2-5-11(6-3-1)15-16-14(18-10-19-15)9-13(20-16)12-7-4-8-17-12/h1-3,5-6,9-10,12,17,20H,4,7-8H2/t12-/m0/s1
InChIKeyFYAIFOAHOAXPHW-LBPRGKRZSA-N
MW264.33 g/mol
LogP3.05
Rot. Bonds2

About 4-phenyl-6-[(2S)-pyrrolidin-2-yl]-5H-pyrrolo[3,2-d]pyrimidine

4-phenyl-6-[(2S)-pyrrolidin-2-yl]-5H-pyrrolo[3,2-d]pyrimidine (PubChem CID 58425771) has the molecular formula C16H16N4 and a molecular weight of 264.33 g/mol. Its IUPAC name is 4-phenyl-6-[(2S)-pyrrolidin-2-yl]-5H-pyrrolo[3,2-d]pyrimidine.

Molecular Properties

Compound Name4-phenyl-6-[(2S)-pyrrolidin-2-yl]-5H-pyrrolo[3,2-d]pyrimidine
PubChem CID58425771
Molecular FormulaC16H16N4
Molecular Weight264.33 g/mol
Exact Mass264.14
IUPAC Name4-phenyl-6-[(2S)-pyrrolidin-2-yl]-5H-pyrrolo[3,2-d]pyrimidine
SMILESc1ccc(-c2ncnc3cc([C@@H]4CCCN4)[nH]c23)cc1
InChIInChI=1S/C16H16N4/c1-2-5-11(6-3-1)15-16-14(18-10-19-15)9-13(20-16)12-7-4-8-17-12/h1-3,5-6,9-10,12,17,20H,4,7-8H2/t12-/m0/s1
InChIKeyFYAIFOAHOAXPHW-LBPRGKRZSA-N
XLogP3.05
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-4-phenyl-6-pyrrolidin-2-yl-5H-pyrrolo[3,2-d]pyrimidine
CID 67174564
2-(5-phenyl-1H-pyrrol-2-yl)piperidine
CID 141234725
4-phenyl-5-propan-2-yl-2-pyrrolidin-2-yl-1H-imidazole
CID 43650699
6,7-dimethyl-2-pyrrolidin-2-yl-1H-indole
CID 84622007
5-methyl-4-phenyl-2-pyrrolidin-2-yl-1H-pyrimidin-6-one
CID 136764448
3-phenyl-2-pyrrolidin-2-ylpyridine
CID 115008660
6-chloro-7-methyl-2-piperidin-2-yl-1H-indole
CID 84633377
3-phenyl-5-[(2S)-pyrrolidin-2-yl]-1,2-oxazole
CID 10242348
2-phenyl-4-pyrrolidin-2-yl-1,3-oxazole
CID 115028763
(2S)-2-(3-phenylphenyl)piperidine;hydrochloride
CID 171195217
(2S)-2-phenylpiperidine
CID 10997356
2-[(2R)-pyrrolidin-2-yl]pyridine
CID 7141590

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-6-[(2S)-pyrrolidin-2-yl]-5H-pyrrolo[3,2-d]pyrimidine?
The IUPAC name of 4-phenyl-6-[(2S)-pyrrolidin-2-yl]-5H-pyrrolo[3,2-d]pyrimidine (CID 58425771) is 4-phenyl-6-[(2S)-pyrrolidin-2-yl]-5H-pyrrolo[3,2-d]pyrimidine.
What is the SMILES notation for 4-phenyl-6-[(2S)-pyrrolidin-2-yl]-5H-pyrrolo[3,2-d]pyrimidine?
The canonical SMILES for 4-phenyl-6-[(2S)-pyrrolidin-2-yl]-5H-pyrrolo[3,2-d]pyrimidine is c1ccc(-c2ncnc3cc([C@@H]4CCCN4)[nH]c23)cc1.
What is the InChIKey of 4-phenyl-6-[(2S)-pyrrolidin-2-yl]-5H-pyrrolo[3,2-d]pyrimidine?
The InChIKey is FYAIFOAHOAXPHW-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H16N4/c1-2-5-11(6-3-1)15-16-14(18-10-19-15)9-13(20-16)12-7-4-8-17-12/h1-3,5-6,9-10,12,17,20H,4,7-8H2/t12-/m0/s1.
What are the key properties of 4-phenyl-6-[(2S)-pyrrolidin-2-yl]-5H-pyrrolo[3,2-d]pyrimidine?
4-phenyl-6-[(2S)-pyrrolidin-2-yl]-5H-pyrrolo[3,2-d]pyrimidine has a molecular weight of 264.33 g/mol, XLogP of 3.05, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-6-[(2S)-pyrrolidin-2-yl]-5H-pyrrolo[3,2-d]pyrimidine is sourced from PubChem (CID 58425771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).