5-methyl-6-phenyl-1,3-dipropylpyrrolo[3,2-d]pyrimidine-2,4-dione

C19H23N3O2 — CID 10019225

IUPAC5-methyl-6-phenyl-1,3-dipropylpyrrolo[3,2-d]pyrimidine-2,4-dione
SMILESCCCn1c(=O)c2c(cc(-c3ccccc3)n2C)n(CCC)c1=O
InChIInChI=1S/C19H23N3O2/c1-4-11-21-16-13-15(14-9-7-6-8-10-14)20(3)17(16)18(23)22(12-5-2)19(21)24/h6-10,13H,4-5,11-12H2,1-3H3
InChIKeyQCHFZZNUSGPSNK-UHFFFAOYSA-N
MW325.41 g/mol
LogP2.99
Rot. Bonds5

About 5-methyl-6-phenyl-1,3-dipropylpyrrolo[3,2-d]pyrimidine-2,4-dione

5-methyl-6-phenyl-1,3-dipropylpyrrolo[3,2-d]pyrimidine-2,4-dione (PubChem CID 10019225) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 5-methyl-6-phenyl-1,3-dipropylpyrrolo[3,2-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-methyl-6-phenyl-1,3-dipropylpyrrolo[3,2-d]pyrimidine-2,4-dione
PubChem CID10019225
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name5-methyl-6-phenyl-1,3-dipropylpyrrolo[3,2-d]pyrimidine-2,4-dione
SMILESCCCn1c(=O)c2c(cc(-c3ccccc3)n2C)n(CCC)c1=O
InChIInChI=1S/C19H23N3O2/c1-4-11-21-16-13-15(14-9-7-6-8-10-14)20(3)17(16)18(23)22(12-5-2)19(21)24/h6-10,13H,4-5,11-12H2,1-3H3
InChIKeyQCHFZZNUSGPSNK-UHFFFAOYSA-N
XLogP2.99
TPSA48.93 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-6-phenyl-1,3-dipropylpyrrolo[3,2-d]pyrimidine-2,4-dione?
The IUPAC name of 5-methyl-6-phenyl-1,3-dipropylpyrrolo[3,2-d]pyrimidine-2,4-dione (CID 10019225) is 5-methyl-6-phenyl-1,3-dipropylpyrrolo[3,2-d]pyrimidine-2,4-dione.
What is the SMILES notation for 5-methyl-6-phenyl-1,3-dipropylpyrrolo[3,2-d]pyrimidine-2,4-dione?
The canonical SMILES for 5-methyl-6-phenyl-1,3-dipropylpyrrolo[3,2-d]pyrimidine-2,4-dione is CCCn1c(=O)c2c(cc(-c3ccccc3)n2C)n(CCC)c1=O.
What is the InChIKey of 5-methyl-6-phenyl-1,3-dipropylpyrrolo[3,2-d]pyrimidine-2,4-dione?
The InChIKey is QCHFZZNUSGPSNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-4-11-21-16-13-15(14-9-7-6-8-10-14)20(3)17(16)18(23)22(12-5-2)19(21)24/h6-10,13H,4-5,11-12H2,1-3H3.
What are the key properties of 5-methyl-6-phenyl-1,3-dipropylpyrrolo[3,2-d]pyrimidine-2,4-dione?
5-methyl-6-phenyl-1,3-dipropylpyrrolo[3,2-d]pyrimidine-2,4-dione has a molecular weight of 325.41 g/mol, XLogP of 2.99, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-phenyl-1,3-dipropylpyrrolo[3,2-d]pyrimidine-2,4-dione is sourced from PubChem (CID 10019225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).