1,3,7-tripropylpurine-2,6-dione

C14H22N4O2 — CID 11492842

IUPAC1,3,7-tripropylpurine-2,6-dione
SMILESCCCn1c(=O)c2c(ncn2CCC)n(CCC)c1=O
InChIInChI=1S/C14H22N4O2/c1-4-7-16-10-15-12-11(16)13(19)18(9-6-3)14(20)17(12)8-5-2/h10H,4-9H2,1-3H3
InChIKeyPMJKNRZFAZJNRA-UHFFFAOYSA-N
MW278.36 g/mol
LogP1.59
Rot. Bonds6

About 1,3,7-tripropylpurine-2,6-dione

1,3,7-tripropylpurine-2,6-dione (PubChem CID 11492842) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 1,3,7-tripropylpurine-2,6-dione.

Molecular Properties

Compound Name1,3,7-tripropylpurine-2,6-dione
PubChem CID11492842
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name1,3,7-tripropylpurine-2,6-dione
SMILESCCCn1c(=O)c2c(ncn2CCC)n(CCC)c1=O
InChIInChI=1S/C14H22N4O2/c1-4-7-16-10-15-12-11(16)13(19)18(9-6-3)14(20)17(12)8-5-2/h10H,4-9H2,1-3H3
InChIKeyPMJKNRZFAZJNRA-UHFFFAOYSA-N
XLogP1.59
TPSA61.82 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,3,7-tripropylpurine-2,6-dione?
The IUPAC name of 1,3,7-tripropylpurine-2,6-dione (CID 11492842) is 1,3,7-tripropylpurine-2,6-dione.
What is the SMILES notation for 1,3,7-tripropylpurine-2,6-dione?
The canonical SMILES for 1,3,7-tripropylpurine-2,6-dione is CCCn1c(=O)c2c(ncn2CCC)n(CCC)c1=O.
What is the InChIKey of 1,3,7-tripropylpurine-2,6-dione?
The InChIKey is PMJKNRZFAZJNRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-4-7-16-10-15-12-11(16)13(19)18(9-6-3)14(20)17(12)8-5-2/h10H,4-9H2,1-3H3.
What are the key properties of 1,3,7-tripropylpurine-2,6-dione?
1,3,7-tripropylpurine-2,6-dione has a molecular weight of 278.36 g/mol, XLogP of 1.59, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,7-tripropylpurine-2,6-dione is sourced from PubChem (CID 11492842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).