(4S)-3-methyl-4-phenyl-6-pyridin-3-yl-4,7-dihydro-1H-pyrrolo[3,4-d]pyrimidine-2,5-dione

C18H16N4O2 — CID 910589

IUPAC(4S)-3-methyl-4-phenyl-6-pyridin-3-yl-4,7-dihydro-1H-pyrrolo[3,4-d]pyrimidine-2,5-dione
SMILESCN1C(=O)NC2=C(C(=O)N(c3cccnc3)C2)[C@@H]1c1ccccc1
InChIInChI=1S/C18H16N4O2/c1-21-16(12-6-3-2-4-7-12)15-14(20-18(21)24)11-22(17(15)23)13-8-5-9-19-10-13/h2-10,16H,11H2,1H3,(H,20,24)/t16-/m0/s1
InChIKeyDIEJWFOZKLPGTM-INIZCTEOSA-N
MW320.35 g/mol
LogP2.08
Rot. Bonds2

About (4S)-3-methyl-4-phenyl-6-pyridin-3-yl-4,7-dihydro-1H-pyrrolo[3,4-d]pyrimidine-2,5-dione

(4S)-3-methyl-4-phenyl-6-pyridin-3-yl-4,7-dihydro-1H-pyrrolo[3,4-d]pyrimidine-2,5-dione (PubChem CID 910589) has the molecular formula C18H16N4O2 and a molecular weight of 320.35 g/mol. Its IUPAC name is (4S)-3-methyl-4-phenyl-6-pyridin-3-yl-4,7-dihydro-1H-pyrrolo[3,4-d]pyrimidine-2,5-dione.

Molecular Properties

Compound Name(4S)-3-methyl-4-phenyl-6-pyridin-3-yl-4,7-dihydro-1H-pyrrolo[3,4-d]pyrimidine-2,5-dione
PubChem CID910589
Molecular FormulaC18H16N4O2
Molecular Weight320.35 g/mol
Exact Mass320.13
IUPAC Name(4S)-3-methyl-4-phenyl-6-pyridin-3-yl-4,7-dihydro-1H-pyrrolo[3,4-d]pyrimidine-2,5-dione
SMILESCN1C(=O)NC2=C(C(=O)N(c3cccnc3)C2)[C@@H]1c1ccccc1
InChIInChI=1S/C18H16N4O2/c1-21-16(12-6-3-2-4-7-12)15-14(20-18(21)24)11-22(17(15)23)13-8-5-9-19-10-13/h2-10,16H,11H2,1H3,(H,20,24)/t16-/m0/s1
InChIKeyDIEJWFOZKLPGTM-INIZCTEOSA-N
XLogP2.08
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-3-methyl-4-phenyl-6-pyridin-3-yl-4,7-dihydro-1H-pyrrolo[3,4-d]pyrimidine-2,5-dione?
The IUPAC name of (4S)-3-methyl-4-phenyl-6-pyridin-3-yl-4,7-dihydro-1H-pyrrolo[3,4-d]pyrimidine-2,5-dione (CID 910589) is (4S)-3-methyl-4-phenyl-6-pyridin-3-yl-4,7-dihydro-1H-pyrrolo[3,4-d]pyrimidine-2,5-dione.
What is the SMILES notation for (4S)-3-methyl-4-phenyl-6-pyridin-3-yl-4,7-dihydro-1H-pyrrolo[3,4-d]pyrimidine-2,5-dione?
The canonical SMILES for (4S)-3-methyl-4-phenyl-6-pyridin-3-yl-4,7-dihydro-1H-pyrrolo[3,4-d]pyrimidine-2,5-dione is CN1C(=O)NC2=C(C(=O)N(c3cccnc3)C2)[C@@H]1c1ccccc1.
What is the InChIKey of (4S)-3-methyl-4-phenyl-6-pyridin-3-yl-4,7-dihydro-1H-pyrrolo[3,4-d]pyrimidine-2,5-dione?
The InChIKey is DIEJWFOZKLPGTM-INIZCTEOSA-N. The full InChI is InChI=1S/C18H16N4O2/c1-21-16(12-6-3-2-4-7-12)15-14(20-18(21)24)11-22(17(15)23)13-8-5-9-19-10-13/h2-10,16H,11H2,1H3,(H,20,24)/t16-/m0/s1.
What are the key properties of (4S)-3-methyl-4-phenyl-6-pyridin-3-yl-4,7-dihydro-1H-pyrrolo[3,4-d]pyrimidine-2,5-dione?
(4S)-3-methyl-4-phenyl-6-pyridin-3-yl-4,7-dihydro-1H-pyrrolo[3,4-d]pyrimidine-2,5-dione has a molecular weight of 320.35 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-methyl-4-phenyl-6-pyridin-3-yl-4,7-dihydro-1H-pyrrolo[3,4-d]pyrimidine-2,5-dione is sourced from PubChem (CID 910589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).