2-methyl-N-[(5-methylfuran-2-yl)methyl]-7H-purin-6-amine

C12H13N5O — CID 154596531

IUPAC2-methyl-N-[(5-methylfuran-2-yl)methyl]-7H-purin-6-amine
SMILESCc1nc(NCc2ccc(C)o2)c2[nH]cnc2n1
InChIInChI=1S/C12H13N5O/c1-7-3-4-9(18-7)5-13-11-10-12(15-6-14-10)17-8(2)16-11/h3-4,6H,5H2,1-2H3,(H2,13,14,15,16,17)
InChIKeyXWTZBOAXGKIHNJ-UHFFFAOYSA-N
MW243.27 g/mol
LogP2.17
Rot. Bonds3

About 2-methyl-N-[(5-methylfuran-2-yl)methyl]-7H-purin-6-amine

2-methyl-N-[(5-methylfuran-2-yl)methyl]-7H-purin-6-amine (PubChem CID 154596531) has the molecular formula C12H13N5O and a molecular weight of 243.27 g/mol. Its IUPAC name is 2-methyl-N-[(5-methylfuran-2-yl)methyl]-7H-purin-6-amine.

Molecular Properties

Compound Name2-methyl-N-[(5-methylfuran-2-yl)methyl]-7H-purin-6-amine
PubChem CID154596531
Molecular FormulaC12H13N5O
Molecular Weight243.27 g/mol
Exact Mass243.11
IUPAC Name2-methyl-N-[(5-methylfuran-2-yl)methyl]-7H-purin-6-amine
SMILESCc1nc(NCc2ccc(C)o2)c2[nH]cnc2n1
InChIInChI=1S/C12H13N5O/c1-7-3-4-9(18-7)5-13-11-10-12(15-6-14-10)17-8(2)16-11/h3-4,6H,5H2,1-2H3,(H2,13,14,15,16,17)
InChIKeyXWTZBOAXGKIHNJ-UHFFFAOYSA-N
XLogP2.17
TPSA79.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[6-[(5-methylfuran-2-yl)methylamino]-7H-purin-8-yl]-N-[[5-(trifluoromethyl)furan-2-yl]methyl]-7H-purin-6-amine
CID 123488303
2-methyl-N-[(6-methylpyrazin-2-yl)methyl]-7H-purin-6-amine
CID 118317169
N-[(5-bromofuran-3-yl)methyl]-2-methyl-7H-purin-6-amine;ethane
CID 142220729
2,5-dimethyl-4-N-[(5-methylfuran-2-yl)methyl]-6-N-propylpyrimidine-4,6-diamine
CID 80833191
N-[(E)-but-2-enyl]-2-methyl-7H-purin-6-amine
CID 154596530
5-bromo-4-[(5-methylfuran-2-yl)methylamino]-1H-pyrimidin-6-one
CID 136975409
N-[(2R)-butan-2-yl]-2-methyl-7H-purin-6-amine
CID 67967892
N-(1-benzofuran-2-ylmethyl)-2-chloro-7H-purin-6-amine
CID 134481136
6-N,5-dimethyl-4-N-[(5-methylfuran-2-yl)methyl]pyrimidine-4,6-diamine
CID 80832158
2-N-ethyl-6-N-[(2-methylpyrimidin-4-yl)methyl]-7H-purine-2,6-diamine
CID 114784815
2-chloro-N-(1,3-oxazol-5-ylmethyl)-7H-purin-6-amine
CID 167981410
6-N-[(2-methylphenyl)methyl]-7H-purine-2,6-diamine
CID 86271615

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(5-methylfuran-2-yl)methyl]-7H-purin-6-amine?
The IUPAC name of 2-methyl-N-[(5-methylfuran-2-yl)methyl]-7H-purin-6-amine (CID 154596531) is 2-methyl-N-[(5-methylfuran-2-yl)methyl]-7H-purin-6-amine.
What is the SMILES notation for 2-methyl-N-[(5-methylfuran-2-yl)methyl]-7H-purin-6-amine?
The canonical SMILES for 2-methyl-N-[(5-methylfuran-2-yl)methyl]-7H-purin-6-amine is Cc1nc(NCc2ccc(C)o2)c2[nH]cnc2n1.
What is the InChIKey of 2-methyl-N-[(5-methylfuran-2-yl)methyl]-7H-purin-6-amine?
The InChIKey is XWTZBOAXGKIHNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O/c1-7-3-4-9(18-7)5-13-11-10-12(15-6-14-10)17-8(2)16-11/h3-4,6H,5H2,1-2H3,(H2,13,14,15,16,17).
What are the key properties of 2-methyl-N-[(5-methylfuran-2-yl)methyl]-7H-purin-6-amine?
2-methyl-N-[(5-methylfuran-2-yl)methyl]-7H-purin-6-amine has a molecular weight of 243.27 g/mol, XLogP of 2.17, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(5-methylfuran-2-yl)methyl]-7H-purin-6-amine is sourced from PubChem (CID 154596531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).