3,5-dimethyl-2-[[(3R,5R)-1-methyl-5-phenylpiperidin-3-yl]amino]pyrrolo[3,2-d]pyrimidin-4-one

C20H25N5O — CID 155535148

IUPAC3,5-dimethyl-2-[[(3R,5R)-1-methyl-5-phenylpiperidin-3-yl]amino]pyrrolo[3,2-d]pyrimidin-4-one
SMILESCN1C[C@H](Nc2nc3ccn(C)c3c(=O)n2C)C[C@H](c2ccccc2)C1
InChIInChI=1S/C20H25N5O/c1-23-12-15(14-7-5-4-6-8-14)11-16(13-23)21-20-22-17-9-10-24(2)18(17)19(26)25(20)3/h4-10,15-16H,11-13H2,1-3H3,(H,21,22)/t15-,16+/m0/s1
InChIKeyFAOILJOQEQTGLJ-JKSUJKDBSA-N
MW351.45 g/mol
LogP2.17
Rot. Bonds3

About 3,5-dimethyl-2-[[(3R,5R)-1-methyl-5-phenylpiperidin-3-yl]amino]pyrrolo[3,2-d]pyrimidin-4-one

3,5-dimethyl-2-[[(3R,5R)-1-methyl-5-phenylpiperidin-3-yl]amino]pyrrolo[3,2-d]pyrimidin-4-one (PubChem CID 155535148) has the molecular formula C20H25N5O and a molecular weight of 351.45 g/mol. Its IUPAC name is 3,5-dimethyl-2-[[(3R,5R)-1-methyl-5-phenylpiperidin-3-yl]amino]pyrrolo[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name3,5-dimethyl-2-[[(3R,5R)-1-methyl-5-phenylpiperidin-3-yl]amino]pyrrolo[3,2-d]pyrimidin-4-one
PubChem CID155535148
Molecular FormulaC20H25N5O
Molecular Weight351.45 g/mol
Exact Mass351.21
IUPAC Name3,5-dimethyl-2-[[(3R,5R)-1-methyl-5-phenylpiperidin-3-yl]amino]pyrrolo[3,2-d]pyrimidin-4-one
SMILESCN1C[C@H](Nc2nc3ccn(C)c3c(=O)n2C)C[C@H](c2ccccc2)C1
InChIInChI=1S/C20H25N5O/c1-23-12-15(14-7-5-4-6-8-14)11-16(13-23)21-20-22-17-9-10-24(2)18(17)19(26)25(20)3/h4-10,15-16H,11-13H2,1-3H3,(H,21,22)/t15-,16+/m0/s1
InChIKeyFAOILJOQEQTGLJ-JKSUJKDBSA-N
XLogP2.17
TPSA55.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3,5-dimethyl-2-[[(3R,5R)-1-methyl-5-phenylpiperidin-3-yl]amino]pyrrolo[3,2-d]pyrimidin-4-one with MolForge

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Launch Full Analysis

Related Compounds

Peldesine
CID 135413525
3-methyl-2-[[(3R,5R)-1-methyl-5-phenyl-piperidin-3-yl]amino]-5H-pyrrolo[3,2-d]pyrimidin-4-one
CID 154641364
N,N-dimethyl-2-[3-[4-(2-propan-2-ylphenyl)piperazin-1-yl]propylamino]pyridine-3-carboxamide
CID 10645210
6-[(3S)-3-aminopiperidin-1-yl]-3-(isoquinolin-1-ylmethyl)-5-(3-methylbut-2-enyl)-4-oxopyrrolo[3,2-d]pyrimidine-7-carbonitrile
CID 23633277
5-{[(1R,2S)-2-aminocyclohexyl]amino}-3-[(4,6-dimethylpyridin-2-yl)amino]pyridine-2-carboxamide
CID 71533675
3-methyl-2-[[(3~{R})-1-methylpiperidin-3-yl]amino]-5~{H}-pyrrolo[3,2-d]pyrimidin-4-one
CID 138105960
2-[[2-[(3R)-3-aminopiperidin-1-yl]-7-fluoro-4-oxo-5H-pyrrolo[3,2-d]pyrimidin-3-yl]methyl]-4-fluorobenzonitrile
CID 145952476
2-[[2-[(3R)-3-aminopiperidin-1-yl]-7-(4-fluorophenyl)-4-oxo-5H-pyrrolo[3,2-d]pyrimidin-3-yl]methyl]-4-fluorobenzonitrile
CID 145962482
6-methyl-4-oxo-5-phenyl-3-(pyridin-2-ylmethyl)-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidine-7-carbonitrile
CID 947944
6-cyclohexyl-7-[(4-methylphenyl)amino]-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-5-one
CID 3238287
N-(3-(2-amino-4-cyclohexyl-1-methyl-5-oxo-4,5-dihydro-1H-imidazol-4-yl)phenyl)-1-methyl-1H-pyrrole-2-carboxamide
CID 16051696
6-(1,4-Diazepan-1-yl)-3-(isoquinolin-1-ylmethyl)-5-(3-methylbut-2-enyl)-4-oxopyrrolo[3,2-d]pyrimidine-7-carbonitrile
CID 23633557

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-2-[[(3R,5R)-1-methyl-5-phenylpiperidin-3-yl]amino]pyrrolo[3,2-d]pyrimidin-4-one?
The IUPAC name of 3,5-dimethyl-2-[[(3R,5R)-1-methyl-5-phenylpiperidin-3-yl]amino]pyrrolo[3,2-d]pyrimidin-4-one (CID 155535148) is 3,5-dimethyl-2-[[(3R,5R)-1-methyl-5-phenylpiperidin-3-yl]amino]pyrrolo[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 3,5-dimethyl-2-[[(3R,5R)-1-methyl-5-phenylpiperidin-3-yl]amino]pyrrolo[3,2-d]pyrimidin-4-one?
The canonical SMILES for 3,5-dimethyl-2-[[(3R,5R)-1-methyl-5-phenylpiperidin-3-yl]amino]pyrrolo[3,2-d]pyrimidin-4-one is CN1C[C@H](Nc2nc3ccn(C)c3c(=O)n2C)C[C@H](c2ccccc2)C1.
What is the InChIKey of 3,5-dimethyl-2-[[(3R,5R)-1-methyl-5-phenylpiperidin-3-yl]amino]pyrrolo[3,2-d]pyrimidin-4-one?
The InChIKey is FAOILJOQEQTGLJ-JKSUJKDBSA-N. The full InChI is InChI=1S/C20H25N5O/c1-23-12-15(14-7-5-4-6-8-14)11-16(13-23)21-20-22-17-9-10-24(2)18(17)19(26)25(20)3/h4-10,15-16H,11-13H2,1-3H3,(H,21,22)/t15-,16+/m0/s1.
What are the key properties of 3,5-dimethyl-2-[[(3R,5R)-1-methyl-5-phenylpiperidin-3-yl]amino]pyrrolo[3,2-d]pyrimidin-4-one?
3,5-dimethyl-2-[[(3R,5R)-1-methyl-5-phenylpiperidin-3-yl]amino]pyrrolo[3,2-d]pyrimidin-4-one has a molecular weight of 351.45 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-2-[[(3R,5R)-1-methyl-5-phenylpiperidin-3-yl]amino]pyrrolo[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 155535148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).