1,3-dipropyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione

C12H17N3O2 — CID 10376784

IUPAC1,3-dipropyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione
SMILESCCCn1c(=O)c2[nH]ccc2n(CCC)c1=O
InChIInChI=1S/C12H17N3O2/c1-3-7-14-9-5-6-13-10(9)11(16)15(8-4-2)12(14)17/h5-6,13H,3-4,7-8H2,1-2H3
InChIKeyLWDDPJKYTDZXKY-UHFFFAOYSA-N
MW235.29 g/mol
LogP1.31
Rot. Bonds4

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

1,3-dipropyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione (PubChem CID 10376784) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 1,3-dipropyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-dipropyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione
PubChem CID10376784
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name1,3-dipropyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione
SMILESCCCn1c(=O)c2[nH]ccc2n(CCC)c1=O
InChIInChI=1S/C12H17N3O2/c1-3-7-14-9-5-6-13-10(9)11(16)15(8-4-2)12(14)17/h5-6,13H,3-4,7-8H2,1-2H3
InChIKeyLWDDPJKYTDZXKY-UHFFFAOYSA-N
XLogP1.31
TPSA59.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,3-dipropyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione?
The IUPAC name of 1,3-dipropyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione (CID 10376784) is 1,3-dipropyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione.
What is the SMILES notation for 1,3-dipropyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione?
The canonical SMILES for 1,3-dipropyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione is CCCn1c(=O)c2[nH]ccc2n(CCC)c1=O.
What is the InChIKey of 1,3-dipropyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione?
The InChIKey is LWDDPJKYTDZXKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-3-7-14-9-5-6-13-10(9)11(16)15(8-4-2)12(14)17/h5-6,13H,3-4,7-8H2,1-2H3.
What are the key properties of 1,3-dipropyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione?
1,3-dipropyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione has a molecular weight of 235.29 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dipropyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione is sourced from PubChem (CID 10376784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).