methanamine;1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione

C11H19N5O2 — CID 70150646

IUPACmethanamine;1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione
SMILESCC(C)Cn1c(=O)n(C)c(=O)c2[nH]cnc21.CN
InChIInChI=1S/C10H14N4O2.CH5N/c1-6(2)4-14-8-7(11-5-12-8)9(15)13(3)10(14)16;1-2/h5-6H,4H2,1-3H3,(H,11,12);2H2,1H3
InChIKeyNXQQMIQGEJYTSD-UHFFFAOYSA-N
MW253.31 g/mol
LogP-0.35
Rot. Bonds2

About methanamine;1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione

methanamine;1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione (PubChem CID 70150646) has the molecular formula C11H19N5O2 and a molecular weight of 253.31 g/mol. Its IUPAC name is methanamine;1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione.

Molecular Properties

Compound Namemethanamine;1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione
PubChem CID70150646
Molecular FormulaC11H19N5O2
Molecular Weight253.31 g/mol
Exact Mass253.15
IUPAC Namemethanamine;1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione
SMILESCC(C)Cn1c(=O)n(C)c(=O)c2[nH]cnc21.CN
InChIInChI=1S/C10H14N4O2.CH5N/c1-6(2)4-14-8-7(11-5-12-8)9(15)13(3)10(14)16;1-2/h5-6H,4H2,1-3H3,(H,11,12);2H2,1H3
InChIKeyNXQQMIQGEJYTSD-UHFFFAOYSA-N
XLogP-0.35
TPSA98.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

8-deuterio-1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione
CID 90843454
3-(2-methylpropyl)-1-propyl-7H-purine-2,6-dione
CID 59980723
1-(2,3-dihydroxybutyl)-3-methyl-7H-purine-2,6-dione
CID 141369369
bis(1,3-dimethyl-7H-purine-2,6-dione);ethane-1,2-diamine;tetrahydrate
CID 157010711
acetic acid;1,3-dimethyl-7H-purine-2,6-dione;methanamine
CID 174694484
1,3-dimethyl-7H-purine-2,6-dione;molecular iodine
CID 160576225
3-(cyclohexylmethyl)-1-methyl-7H-purine-2,6-dione
CID 3076822
1-(3-aminopropyl)-3-methyl-7H-purine-2,6-dione
CID 57349183
1-methyl-3-(2-methylpropanoyl)-7H-purine-2,6-dione
CID 21195478
8-bromo-1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione
CID 13224548
1-methyl-3,7-bis(2-methylpropyl)purine-2,6-dione
CID 13277161
1-(2,6-dimethylheptan-4-yl)-3-methyl-7H-purine-2,6-dione
CID 174592039

Frequently Asked Questions

What is the IUPAC name of methanamine;1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione?
The IUPAC name of methanamine;1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione (CID 70150646) is methanamine;1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione.
What is the SMILES notation for methanamine;1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione?
The canonical SMILES for methanamine;1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione is CC(C)Cn1c(=O)n(C)c(=O)c2[nH]cnc21.CN.
What is the InChIKey of methanamine;1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione?
The InChIKey is NXQQMIQGEJYTSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2.CH5N/c1-6(2)4-14-8-7(11-5-12-8)9(15)13(3)10(14)16;1-2/h5-6H,4H2,1-3H3,(H,11,12);2H2,1H3.
What are the key properties of methanamine;1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione?
methanamine;1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione has a molecular weight of 253.31 g/mol, XLogP of -0.35, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methanamine;1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione is sourced from PubChem (CID 70150646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).