5-methyl-3-phenyl-7-(piperidine-1-carbonyl)-1H-pyrrolo[3,2-d]pyrimidine-2,4-dione

C19H20N4O3 — CID 18568344

IUPAC5-methyl-3-phenyl-7-(piperidine-1-carbonyl)-1H-pyrrolo[3,2-d]pyrimidine-2,4-dione
SMILESCn1cc(C(=O)N2CCCCC2)c2[nH]c(=O)n(-c3ccccc3)c(=O)c21
InChIInChI=1S/C19H20N4O3/c1-21-12-14(17(24)22-10-6-3-7-11-22)15-16(21)18(25)23(19(26)20-15)13-8-4-2-5-9-13/h2,4-5,8-9,12H,3,6-7,10-11H2,1H3,(H,20,26)
InChIKeyTVDCSLOCSWWDON-UHFFFAOYSA-N
MW352.39 g/mol
LogP1.64
Rot. Bonds2

About 5-methyl-3-phenyl-7-(piperidine-1-carbonyl)-1H-pyrrolo[3,2-d]pyrimidine-2,4-dione

5-methyl-3-phenyl-7-(piperidine-1-carbonyl)-1H-pyrrolo[3,2-d]pyrimidine-2,4-dione (PubChem CID 18568344) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is 5-methyl-3-phenyl-7-(piperidine-1-carbonyl)-1H-pyrrolo[3,2-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-methyl-3-phenyl-7-(piperidine-1-carbonyl)-1H-pyrrolo[3,2-d]pyrimidine-2,4-dione
PubChem CID18568344
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC Name5-methyl-3-phenyl-7-(piperidine-1-carbonyl)-1H-pyrrolo[3,2-d]pyrimidine-2,4-dione
SMILESCn1cc(C(=O)N2CCCCC2)c2[nH]c(=O)n(-c3ccccc3)c(=O)c21
InChIInChI=1S/C19H20N4O3/c1-21-12-14(17(24)22-10-6-3-7-11-22)15-16(21)18(25)23(19(26)20-15)13-8-4-2-5-9-13/h2,4-5,8-9,12H,3,6-7,10-11H2,1H3,(H,20,26)
InChIKeyTVDCSLOCSWWDON-UHFFFAOYSA-N
XLogP1.64
TPSA80.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-phenyl-7-(piperidine-1-carbonyl)-1H-pyrrolo[3,2-d]pyrimidine-2,4-dione?
The IUPAC name of 5-methyl-3-phenyl-7-(piperidine-1-carbonyl)-1H-pyrrolo[3,2-d]pyrimidine-2,4-dione (CID 18568344) is 5-methyl-3-phenyl-7-(piperidine-1-carbonyl)-1H-pyrrolo[3,2-d]pyrimidine-2,4-dione.
What is the SMILES notation for 5-methyl-3-phenyl-7-(piperidine-1-carbonyl)-1H-pyrrolo[3,2-d]pyrimidine-2,4-dione?
The canonical SMILES for 5-methyl-3-phenyl-7-(piperidine-1-carbonyl)-1H-pyrrolo[3,2-d]pyrimidine-2,4-dione is Cn1cc(C(=O)N2CCCCC2)c2[nH]c(=O)n(-c3ccccc3)c(=O)c21.
What is the InChIKey of 5-methyl-3-phenyl-7-(piperidine-1-carbonyl)-1H-pyrrolo[3,2-d]pyrimidine-2,4-dione?
The InChIKey is TVDCSLOCSWWDON-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3/c1-21-12-14(17(24)22-10-6-3-7-11-22)15-16(21)18(25)23(19(26)20-15)13-8-4-2-5-9-13/h2,4-5,8-9,12H,3,6-7,10-11H2,1H3,(H,20,26).
What are the key properties of 5-methyl-3-phenyl-7-(piperidine-1-carbonyl)-1H-pyrrolo[3,2-d]pyrimidine-2,4-dione?
5-methyl-3-phenyl-7-(piperidine-1-carbonyl)-1H-pyrrolo[3,2-d]pyrimidine-2,4-dione has a molecular weight of 352.39 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-phenyl-7-(piperidine-1-carbonyl)-1H-pyrrolo[3,2-d]pyrimidine-2,4-dione is sourced from PubChem (CID 18568344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).