[(1R,3S)-3-[(2,6-diaminopurin-9-yl)methyl]-1,2,2-trimethylcyclopentyl]methanol

C15H24N6O — CID 15333850

IUPAC[(1R,3S)-3-[(2,6-diaminopurin-9-yl)methyl]-1,2,2-trimethylcyclopentyl]methanol
SMILESCC1(C)[C@@H](Cn2cnc3c(N)nc(N)nc32)CC[C@@]1(C)CO
InChIInChI=1S/C15H24N6O/c1-14(2)9(4-5-15(14,3)7-22)6-21-8-18-10-11(16)19-13(17)20-12(10)21/h8-9,22H,4-7H2,1-3H3,(H4,16,17,19,20)/t9-,15+/m1/s1
InChIKeyNDHLUBQLXNURAO-PSLIRLAXSA-N
MW304.40 g/mol
LogP1.43
Rot. Bonds3

About [(1R,3S)-3-[(2,6-diaminopurin-9-yl)methyl]-1,2,2-trimethylcyclopentyl]methanol

[(1R,3S)-3-[(2,6-diaminopurin-9-yl)methyl]-1,2,2-trimethylcyclopentyl]methanol (PubChem CID 15333850) has the molecular formula C15H24N6O and a molecular weight of 304.40 g/mol. Its IUPAC name is [(1R,3S)-3-[(2,6-diaminopurin-9-yl)methyl]-1,2,2-trimethylcyclopentyl]methanol.

Molecular Properties

Compound Name[(1R,3S)-3-[(2,6-diaminopurin-9-yl)methyl]-1,2,2-trimethylcyclopentyl]methanol
PubChem CID15333850
Molecular FormulaC15H24N6O
Molecular Weight304.40 g/mol
Exact Mass304.20
IUPAC Name[(1R,3S)-3-[(2,6-diaminopurin-9-yl)methyl]-1,2,2-trimethylcyclopentyl]methanol
SMILESCC1(C)[C@@H](Cn2cnc3c(N)nc(N)nc32)CC[C@@]1(C)CO
InChIInChI=1S/C15H24N6O/c1-14(2)9(4-5-15(14,3)7-22)6-21-8-18-10-11(16)19-13(17)20-12(10)21/h8-9,22H,4-7H2,1-3H3,(H4,16,17,19,20)/t9-,15+/m1/s1
InChIKeyNDHLUBQLXNURAO-PSLIRLAXSA-N
XLogP1.43
TPSA115.87 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.40
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [(1R,3S)-3-[(2,6-diaminopurin-9-yl)methyl]-1,2,2-trimethylcyclopentyl]methanol?
The IUPAC name of [(1R,3S)-3-[(2,6-diaminopurin-9-yl)methyl]-1,2,2-trimethylcyclopentyl]methanol (CID 15333850) is [(1R,3S)-3-[(2,6-diaminopurin-9-yl)methyl]-1,2,2-trimethylcyclopentyl]methanol.
What is the SMILES notation for [(1R,3S)-3-[(2,6-diaminopurin-9-yl)methyl]-1,2,2-trimethylcyclopentyl]methanol?
The canonical SMILES for [(1R,3S)-3-[(2,6-diaminopurin-9-yl)methyl]-1,2,2-trimethylcyclopentyl]methanol is CC1(C)[C@@H](Cn2cnc3c(N)nc(N)nc32)CC[C@@]1(C)CO.
What is the InChIKey of [(1R,3S)-3-[(2,6-diaminopurin-9-yl)methyl]-1,2,2-trimethylcyclopentyl]methanol?
The InChIKey is NDHLUBQLXNURAO-PSLIRLAXSA-N. The full InChI is InChI=1S/C15H24N6O/c1-14(2)9(4-5-15(14,3)7-22)6-21-8-18-10-11(16)19-13(17)20-12(10)21/h8-9,22H,4-7H2,1-3H3,(H4,16,17,19,20)/t9-,15+/m1/s1.
What are the key properties of [(1R,3S)-3-[(2,6-diaminopurin-9-yl)methyl]-1,2,2-trimethylcyclopentyl]methanol?
[(1R,3S)-3-[(2,6-diaminopurin-9-yl)methyl]-1,2,2-trimethylcyclopentyl]methanol has a molecular weight of 304.40 g/mol, XLogP of 1.43, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,3S)-3-[(2,6-diaminopurin-9-yl)methyl]-1,2,2-trimethylcyclopentyl]methanol is sourced from PubChem (CID 15333850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).