6-methyl-4-oxo-5-phenyl-3-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-7-carbonitrile

C20H15N5O — CID 947944

IUPAC6-methyl-4-oxo-5-phenyl-3-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-7-carbonitrile
SMILESCc1c(C#N)c2ncn(Cc3ccccn3)c(=O)c2n1-c1ccccc1
InChIInChI=1S/C20H15N5O/c1-14-17(11-21)18-19(25(14)16-8-3-2-4-9-16)20(26)24(13-23-18)12-15-7-5-6-10-22-15/h2-10,13H,12H2,1H3
InChIKeyRQWPNUWABIAOOI-UHFFFAOYSA-N
MW341.37 g/mol
LogP2.81
Rot. Bonds3

About 6-methyl-4-oxo-5-phenyl-3-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-7-carbonitrile

6-methyl-4-oxo-5-phenyl-3-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-7-carbonitrile (PubChem CID 947944) has the molecular formula C20H15N5O and a molecular weight of 341.37 g/mol. Its IUPAC name is 6-methyl-4-oxo-5-phenyl-3-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-7-carbonitrile.

Molecular Properties

Compound Name6-methyl-4-oxo-5-phenyl-3-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-7-carbonitrile
PubChem CID947944
Molecular FormulaC20H15N5O
Molecular Weight341.37 g/mol
Exact Mass341.13
IUPAC Name6-methyl-4-oxo-5-phenyl-3-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-7-carbonitrile
SMILESCc1c(C#N)c2ncn(Cc3ccccn3)c(=O)c2n1-c1ccccc1
InChIInChI=1S/C20H15N5O/c1-14-17(11-21)18-19(25(14)16-8-3-2-4-9-16)20(26)24(13-23-18)12-15-7-5-6-10-22-15/h2-10,13H,12H2,1H3
InChIKeyRQWPNUWABIAOOI-UHFFFAOYSA-N
XLogP2.81
TPSA76.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

8-Fluoro-5-methyl-3-(pyridin-2-ylmethyl)pyrimido[5,4-b]indol-4-one
CID 1854647
3-(4-Fluoro-benzyl)-5-methyl-3,5-dihydro-pyrimido[5,4-b]indol-4-one
CID 1868403
3-(3-(dimethylamino)propyl)-6-methyl-4-oxo-5-phenyl-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidine-7-carbonitrile
CID 660048
3-(cyanomethyl)-6-methyl-4-oxo-5-phenyl-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidine-7-carbonitrile
CID 948293
6-[(3S)-3-aminopiperidin-1-yl]-3-[(3-cyano-2-pyridinyl)methyl]-1-methyl-5-(3-methylbut-2-enyl)-2,4-dioxopyrrolo[3,2-d]pyrimidine-7-carbonitrile
CID 57391805
7-Pyridin-3-ylmethyl-3,5-dihydro-pyrrolo[3,2-d]pyrimidin-4-one
CID 135524425
2-amino-5-benzyl-6-methyl-3H-pyrrolo[3,2-d]pyrimidin-4-one
CID 135749905
2-amino-6-methyl-5-(4-pyridylmethyl)-3H-pyrrolo[3,2-d]pyrimidin-4-one
CID 135749906
3-(pyridin-2-ylmethyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
CID 658463
3-[2-(cyclohex-1-en-1-yl)ethyl]-5-methyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
CID 667040
N-{4-[(Benzyl)(4-cyanophenyl)amino]-1-methylpyrrole-2-carbonyl}pyrrolidine
CID 44568459
N-(3-aminopropyl)-N-[1-(3-benzyl-5-methyl-4-oxopyrrolo[3,2-d]pyrimidin-2-yl)propyl]-4-methylbenzamide
CID 54758308

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-oxo-5-phenyl-3-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-7-carbonitrile?
The IUPAC name of 6-methyl-4-oxo-5-phenyl-3-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-7-carbonitrile (CID 947944) is 6-methyl-4-oxo-5-phenyl-3-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-7-carbonitrile.
What is the SMILES notation for 6-methyl-4-oxo-5-phenyl-3-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-7-carbonitrile?
The canonical SMILES for 6-methyl-4-oxo-5-phenyl-3-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-7-carbonitrile is Cc1c(C#N)c2ncn(Cc3ccccn3)c(=O)c2n1-c1ccccc1.
What is the InChIKey of 6-methyl-4-oxo-5-phenyl-3-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-7-carbonitrile?
The InChIKey is RQWPNUWABIAOOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N5O/c1-14-17(11-21)18-19(25(14)16-8-3-2-4-9-16)20(26)24(13-23-18)12-15-7-5-6-10-22-15/h2-10,13H,12H2,1H3.
What are the key properties of 6-methyl-4-oxo-5-phenyl-3-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-7-carbonitrile?
6-methyl-4-oxo-5-phenyl-3-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-7-carbonitrile has a molecular weight of 341.37 g/mol, XLogP of 2.81, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-oxo-5-phenyl-3-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-7-carbonitrile is sourced from PubChem (CID 947944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).