7-[hexyl(methyl)amino]-1,3-dimethylpurine-2,6-dione

C14H23N5O2 — CID 146403548

IUPAC7-[hexyl(methyl)amino]-1,3-dimethylpurine-2,6-dione
SMILESCCCCCCN(C)n1cnc2c1c(=O)n(C)c(=O)n2C
InChIInChI=1S/C14H23N5O2/c1-5-6-7-8-9-16(2)19-10-15-12-11(19)13(20)18(4)14(21)17(12)3/h10H,5-9H2,1-4H3
InChIKeyUJTMETIADPODSZ-UHFFFAOYSA-N
MW293.37 g/mol
LogP0.58
Rot. Bonds6

About 7-[hexyl(methyl)amino]-1,3-dimethylpurine-2,6-dione

7-[hexyl(methyl)amino]-1,3-dimethylpurine-2,6-dione (PubChem CID 146403548) has the molecular formula C14H23N5O2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 7-[hexyl(methyl)amino]-1,3-dimethylpurine-2,6-dione.

Molecular Properties

Compound Name7-[hexyl(methyl)amino]-1,3-dimethylpurine-2,6-dione
PubChem CID146403548
Molecular FormulaC14H23N5O2
Molecular Weight293.37 g/mol
Exact Mass293.19
IUPAC Name7-[hexyl(methyl)amino]-1,3-dimethylpurine-2,6-dione
SMILESCCCCCCN(C)n1cnc2c1c(=O)n(C)c(=O)n2C
InChIInChI=1S/C14H23N5O2/c1-5-6-7-8-9-16(2)19-10-15-12-11(19)13(20)18(4)14(21)17(12)3/h10H,5-9H2,1-4H3
InChIKeyUJTMETIADPODSZ-UHFFFAOYSA-N
XLogP0.58
TPSA65.06 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-[hexyl(methyl)amino]-1,3-dimethylpurine-2,6-dione?
The IUPAC name of 7-[hexyl(methyl)amino]-1,3-dimethylpurine-2,6-dione (CID 146403548) is 7-[hexyl(methyl)amino]-1,3-dimethylpurine-2,6-dione.
What is the SMILES notation for 7-[hexyl(methyl)amino]-1,3-dimethylpurine-2,6-dione?
The canonical SMILES for 7-[hexyl(methyl)amino]-1,3-dimethylpurine-2,6-dione is CCCCCCN(C)n1cnc2c1c(=O)n(C)c(=O)n2C.
What is the InChIKey of 7-[hexyl(methyl)amino]-1,3-dimethylpurine-2,6-dione?
The InChIKey is UJTMETIADPODSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O2/c1-5-6-7-8-9-16(2)19-10-15-12-11(19)13(20)18(4)14(21)17(12)3/h10H,5-9H2,1-4H3.
What are the key properties of 7-[hexyl(methyl)amino]-1,3-dimethylpurine-2,6-dione?
7-[hexyl(methyl)amino]-1,3-dimethylpurine-2,6-dione has a molecular weight of 293.37 g/mol, XLogP of 0.58, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[hexyl(methyl)amino]-1,3-dimethylpurine-2,6-dione is sourced from PubChem (CID 146403548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).