[(1S,3R)-3-[[6-(dimethylamino)purin-9-yl]methyl]cyclopentyl]methanol

C14H21N5O — CID 57270357

IUPAC[(1S,3R)-3-[[6-(dimethylamino)purin-9-yl]methyl]cyclopentyl]methanol
SMILESCN(C)c1ncnc2c1ncn2C[C@@H]1CC[C@H](CO)C1
InChIInChI=1S/C14H21N5O/c1-18(2)13-12-14(16-8-15-13)19(9-17-12)6-10-3-4-11(5-10)7-20/h8-11,20H,3-7H2,1-2H3/t10-,11+/m1/s1
InChIKeyYYBIAVRQBWDZGT-MNOVXSKESA-N
MW275.36 g/mol
LogP1.30
Rot. Bonds4

About [(1S,3R)-3-[[6-(dimethylamino)purin-9-yl]methyl]cyclopentyl]methanol

[(1S,3R)-3-[[6-(dimethylamino)purin-9-yl]methyl]cyclopentyl]methanol (PubChem CID 57270357) has the molecular formula C14H21N5O and a molecular weight of 275.36 g/mol. Its IUPAC name is [(1S,3R)-3-[[6-(dimethylamino)purin-9-yl]methyl]cyclopentyl]methanol.

Molecular Properties

Compound Name[(1S,3R)-3-[[6-(dimethylamino)purin-9-yl]methyl]cyclopentyl]methanol
PubChem CID57270357
Molecular FormulaC14H21N5O
Molecular Weight275.36 g/mol
Exact Mass275.17
IUPAC Name[(1S,3R)-3-[[6-(dimethylamino)purin-9-yl]methyl]cyclopentyl]methanol
SMILESCN(C)c1ncnc2c1ncn2C[C@@H]1CC[C@H](CO)C1
InChIInChI=1S/C14H21N5O/c1-18(2)13-12-14(16-8-15-13)19(9-17-12)6-10-3-4-11(5-10)7-20/h8-11,20H,3-7H2,1-2H3/t10-,11+/m1/s1
InChIKeyYYBIAVRQBWDZGT-MNOVXSKESA-N
XLogP1.30
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [(1S,3R)-3-[[6-(dimethylamino)purin-9-yl]methyl]cyclopentyl]methanol?
The IUPAC name of [(1S,3R)-3-[[6-(dimethylamino)purin-9-yl]methyl]cyclopentyl]methanol (CID 57270357) is [(1S,3R)-3-[[6-(dimethylamino)purin-9-yl]methyl]cyclopentyl]methanol.
What is the SMILES notation for [(1S,3R)-3-[[6-(dimethylamino)purin-9-yl]methyl]cyclopentyl]methanol?
The canonical SMILES for [(1S,3R)-3-[[6-(dimethylamino)purin-9-yl]methyl]cyclopentyl]methanol is CN(C)c1ncnc2c1ncn2C[C@@H]1CC[C@H](CO)C1.
What is the InChIKey of [(1S,3R)-3-[[6-(dimethylamino)purin-9-yl]methyl]cyclopentyl]methanol?
The InChIKey is YYBIAVRQBWDZGT-MNOVXSKESA-N. The full InChI is InChI=1S/C14H21N5O/c1-18(2)13-12-14(16-8-15-13)19(9-17-12)6-10-3-4-11(5-10)7-20/h8-11,20H,3-7H2,1-2H3/t10-,11+/m1/s1.
What are the key properties of [(1S,3R)-3-[[6-(dimethylamino)purin-9-yl]methyl]cyclopentyl]methanol?
[(1S,3R)-3-[[6-(dimethylamino)purin-9-yl]methyl]cyclopentyl]methanol has a molecular weight of 275.36 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,3R)-3-[[6-(dimethylamino)purin-9-yl]methyl]cyclopentyl]methanol is sourced from PubChem (CID 57270357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).