8-amino-3-butyl-1-methyl-7H-purine-2,6-dione

C10H15N5O2 — CID 82464669

IUPAC8-amino-3-butyl-1-methyl-7H-purine-2,6-dione
SMILESCCCCn1c(=O)n(C)c(=O)c2[nH]c(N)nc21
InChIInChI=1S/C10H15N5O2/c1-3-4-5-15-7-6(12-9(11)13-7)8(16)14(2)10(15)17/h3-5H2,1-2H3,(H3,11,12,13)
InChIKeyHRJRZTYUFZGSKN-UHFFFAOYSA-N
MW237.26 g/mol
LogP-0.19
Rot. Bonds3

About 8-amino-3-butyl-1-methyl-7H-purine-2,6-dione

8-amino-3-butyl-1-methyl-7H-purine-2,6-dione (PubChem CID 82464669) has the molecular formula C10H15N5O2 and a molecular weight of 237.26 g/mol. Its IUPAC name is 8-amino-3-butyl-1-methyl-7H-purine-2,6-dione.

Molecular Properties

Compound Name8-amino-3-butyl-1-methyl-7H-purine-2,6-dione
PubChem CID82464669
Molecular FormulaC10H15N5O2
Molecular Weight237.26 g/mol
Exact Mass237.12
IUPAC Name8-amino-3-butyl-1-methyl-7H-purine-2,6-dione
SMILESCCCCn1c(=O)n(C)c(=O)c2[nH]c(N)nc21
InChIInChI=1S/C10H15N5O2/c1-3-4-5-15-7-6(12-9(11)13-7)8(16)14(2)10(15)17/h3-5H2,1-2H3,(H3,11,12,13)
InChIKeyHRJRZTYUFZGSKN-UHFFFAOYSA-N
XLogP-0.19
TPSA98.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-butyl-1-methyl-2,6-dioxo-7H-purin-8-yl)acetic acid
CID 82464681
1,3-dibutyl-8-iodo-7H-purine-2,6-dione
CID 11406633
4-butyl-6-methyl-2H-triazolo[4,5-d]pyrimidine-5,7-dione
CID 6409175
1,8-dimethyl-3-(4,4,4-trifluorobutyl)-7H-purine-2,6-dione
CID 143088382
5-(1-methyl-2,6-dioxo-3-propyl-7H-purin-8-yl)pentanoic acid
CID 82464701
8-(3-aminopropyl)-3-(3-methoxypropyl)-1-methyl-7H-purine-2,6-dione
CID 82465103
1,3-dibutyl-8-(3-oxobutyl)-7H-purine-2,6-dione
CID 157241521
8-(ethylamino)-3-(2-methoxyethyl)-1-methyl-7H-purine-2,6-dione
CID 82465014
8-(dicyclopropylmethyl)-1-(111C)methyl-3-propyl-7H-purine-2,6-dione
CID 5461877
3-butyl-8-chloro-1-[3-(dimethylamino)propyl]-7H-purine-2,6-dione
CID 68516895
3-butyl-8-chloro-1-(4-nitrosobutyl)-7H-purine-2,6-dione
CID 143405412
7-(2-aminoethyl)-3-butyl-8-ethyl-1-methylpurine-2,6-dione
CID 82465901

Frequently Asked Questions

What is the IUPAC name of 8-amino-3-butyl-1-methyl-7H-purine-2,6-dione?
The IUPAC name of 8-amino-3-butyl-1-methyl-7H-purine-2,6-dione (CID 82464669) is 8-amino-3-butyl-1-methyl-7H-purine-2,6-dione.
What is the SMILES notation for 8-amino-3-butyl-1-methyl-7H-purine-2,6-dione?
The canonical SMILES for 8-amino-3-butyl-1-methyl-7H-purine-2,6-dione is CCCCn1c(=O)n(C)c(=O)c2[nH]c(N)nc21.
What is the InChIKey of 8-amino-3-butyl-1-methyl-7H-purine-2,6-dione?
The InChIKey is HRJRZTYUFZGSKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O2/c1-3-4-5-15-7-6(12-9(11)13-7)8(16)14(2)10(15)17/h3-5H2,1-2H3,(H3,11,12,13).
What are the key properties of 8-amino-3-butyl-1-methyl-7H-purine-2,6-dione?
8-amino-3-butyl-1-methyl-7H-purine-2,6-dione has a molecular weight of 237.26 g/mol, XLogP of -0.19, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-3-butyl-1-methyl-7H-purine-2,6-dione is sourced from PubChem (CID 82464669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).