6-(4-methylphenyl)-1,3-dipropyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione

C19H23N3O2 — CID 11267343

IUPAC6-(4-methylphenyl)-1,3-dipropyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione
SMILESCCCn1c(=O)c2[nH]c(-c3ccc(C)cc3)cc2n(CCC)c1=O
InChIInChI=1S/C19H23N3O2/c1-4-10-21-16-12-15(14-8-6-13(3)7-9-14)20-17(16)18(23)22(11-5-2)19(21)24/h6-9,12,20H,4-5,10-11H2,1-3H3
InChIKeyIGLCQZYYKLFMKH-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.29
Rot. Bonds5

About 6-(4-methylphenyl)-1,3-dipropyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione

6-(4-methylphenyl)-1,3-dipropyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione (PubChem CID 11267343) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 6-(4-methylphenyl)-1,3-dipropyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(4-methylphenyl)-1,3-dipropyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione
PubChem CID11267343
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name6-(4-methylphenyl)-1,3-dipropyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione
SMILESCCCn1c(=O)c2[nH]c(-c3ccc(C)cc3)cc2n(CCC)c1=O
InChIInChI=1S/C19H23N3O2/c1-4-10-21-16-12-15(14-8-6-13(3)7-9-14)20-17(16)18(23)22(11-5-2)19(21)24/h6-9,12,20H,4-5,10-11H2,1-3H3
InChIKeyIGLCQZYYKLFMKH-UHFFFAOYSA-N
XLogP3.29
TPSA59.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methylphenyl)-1,3-dipropyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione?
The IUPAC name of 6-(4-methylphenyl)-1,3-dipropyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione (CID 11267343) is 6-(4-methylphenyl)-1,3-dipropyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione.
What is the SMILES notation for 6-(4-methylphenyl)-1,3-dipropyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione?
The canonical SMILES for 6-(4-methylphenyl)-1,3-dipropyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione is CCCn1c(=O)c2[nH]c(-c3ccc(C)cc3)cc2n(CCC)c1=O.
What is the InChIKey of 6-(4-methylphenyl)-1,3-dipropyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione?
The InChIKey is IGLCQZYYKLFMKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-4-10-21-16-12-15(14-8-6-13(3)7-9-14)20-17(16)18(23)22(11-5-2)19(21)24/h6-9,12,20H,4-5,10-11H2,1-3H3.
What are the key properties of 6-(4-methylphenyl)-1,3-dipropyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione?
6-(4-methylphenyl)-1,3-dipropyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione has a molecular weight of 325.41 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylphenyl)-1,3-dipropyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione is sourced from PubChem (CID 11267343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).