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

C22H25N5O2 — CID 11326776

IUPAC6-(1-benzylpyrazol-4-yl)-1,3-dipropyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione
SMILESCCCn1c(=O)c2[nH]c(-c3cnn(Cc4ccccc4)c3)cc2n(CCC)c1=O
InChIInChI=1S/C22H25N5O2/c1-3-10-26-19-12-18(24-20(19)21(28)27(11-4-2)22(26)29)17-13-23-25(15-17)14-16-8-6-5-7-9-16/h5-9,12-13,15,24H,3-4,10-11,14H2,1-2H3
InChIKeyOQBJOAXEEYSWLQ-UHFFFAOYSA-N
MW391.48 g/mol
LogP3.22
Rot. Bonds7

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

6-(1-benzylpyrazol-4-yl)-1,3-dipropyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione (PubChem CID 11326776) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is 6-(1-benzylpyrazol-4-yl)-1,3-dipropyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(1-benzylpyrazol-4-yl)-1,3-dipropyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione
PubChem CID11326776
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC Name6-(1-benzylpyrazol-4-yl)-1,3-dipropyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione
SMILESCCCn1c(=O)c2[nH]c(-c3cnn(Cc4ccccc4)c3)cc2n(CCC)c1=O
InChIInChI=1S/C22H25N5O2/c1-3-10-26-19-12-18(24-20(19)21(28)27(11-4-2)22(26)29)17-13-23-25(15-17)14-16-8-6-5-7-9-16/h5-9,12-13,15,24H,3-4,10-11,14H2,1-2H3
InChIKeyOQBJOAXEEYSWLQ-UHFFFAOYSA-N
XLogP3.22
TPSA77.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(1-benzylpyrazol-4-yl)-1,3-dipropyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione?
The IUPAC name of 6-(1-benzylpyrazol-4-yl)-1,3-dipropyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione (CID 11326776) is 6-(1-benzylpyrazol-4-yl)-1,3-dipropyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione.
What is the SMILES notation for 6-(1-benzylpyrazol-4-yl)-1,3-dipropyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione?
The canonical SMILES for 6-(1-benzylpyrazol-4-yl)-1,3-dipropyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione is CCCn1c(=O)c2[nH]c(-c3cnn(Cc4ccccc4)c3)cc2n(CCC)c1=O.
What is the InChIKey of 6-(1-benzylpyrazol-4-yl)-1,3-dipropyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione?
The InChIKey is OQBJOAXEEYSWLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2/c1-3-10-26-19-12-18(24-20(19)21(28)27(11-4-2)22(26)29)17-13-23-25(15-17)14-16-8-6-5-7-9-16/h5-9,12-13,15,24H,3-4,10-11,14H2,1-2H3.
What are the key properties of 6-(1-benzylpyrazol-4-yl)-1,3-dipropyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione?
6-(1-benzylpyrazol-4-yl)-1,3-dipropyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione has a molecular weight of 391.48 g/mol, XLogP of 3.22, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-benzylpyrazol-4-yl)-1,3-dipropyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione is sourced from PubChem (CID 11326776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).