(2S,4R,5R)-5-[2-amino-6-(cyclopentylamino)purin-9-yl]-2-methyl-4-nitrosohexan-1-ol

C17H27N7O2 — CID 88930269

IUPAC(2S,4R,5R)-5-[2-amino-6-(cyclopentylamino)purin-9-yl]-2-methyl-4-nitrosohexan-1-ol
SMILESC[C@H](CO)C[C@@H](N=O)[C@@H](C)n1cnc2c(NC3CCCC3)nc(N)nc21
InChIInChI=1S/C17H27N7O2/c1-10(8-25)7-13(23-26)11(2)24-9-19-14-15(20-12-5-3-4-6-12)21-17(18)22-16(14)24/h9-13,25H,3-8H2,1-2H3,(H3,18,20,21,22)/t10-,11+,13+/m0/s1
InChIKeyOPLRTWXZWLALOW-DMDPSCGWSA-N
MW361.45 g/mol
LogP2.48
Rot. Bonds8

About (2S,4R,5R)-5-[2-amino-6-(cyclopentylamino)purin-9-yl]-2-methyl-4-nitrosohexan-1-ol

(2S,4R,5R)-5-[2-amino-6-(cyclopentylamino)purin-9-yl]-2-methyl-4-nitrosohexan-1-ol (PubChem CID 88930269) has the molecular formula C17H27N7O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is (2S,4R,5R)-5-[2-amino-6-(cyclopentylamino)purin-9-yl]-2-methyl-4-nitrosohexan-1-ol.

Molecular Properties

Compound Name(2S,4R,5R)-5-[2-amino-6-(cyclopentylamino)purin-9-yl]-2-methyl-4-nitrosohexan-1-ol
PubChem CID88930269
Molecular FormulaC17H27N7O2
Molecular Weight361.45 g/mol
Exact Mass361.22
IUPAC Name(2S,4R,5R)-5-[2-amino-6-(cyclopentylamino)purin-9-yl]-2-methyl-4-nitrosohexan-1-ol
SMILESC[C@H](CO)C[C@@H](N=O)[C@@H](C)n1cnc2c(NC3CCCC3)nc(N)nc21
InChIInChI=1S/C17H27N7O2/c1-10(8-25)7-13(23-26)11(2)24-9-19-14-15(20-12-5-3-4-6-12)21-17(18)22-16(14)24/h9-13,25H,3-8H2,1-2H3,(H3,18,20,21,22)/t10-,11+,13+/m0/s1
InChIKeyOPLRTWXZWLALOW-DMDPSCGWSA-N
XLogP2.48
TPSA131.31 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze (2S,4R,5R)-5-[2-amino-6-(cyclopentylamino)purin-9-yl]-2-methyl-4-nitrosohexan-1-ol with MolForge

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Related Compounds

3-[[6-(cyclopentylamino)-9-propan-2-ylpurin-2-yl]amino]propan-1-ol
CID 10615524
2-[2-amino-6-(cyclohexylamino)purin-9-yl]-2-cyclopropylideneethanol
CID 68812403
[(2S,5R)-5-[2-amino-6-(cyclohexylamino)purin-9-yl]oxolan-2-yl]methanol
CID 56967848
(3R,4S,5R)-2-[2-amino-6-(cyclopentylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 46874172
(2R)-2-[[2-amino-6-(cyclopropylamino)purin-9-yl]methoxy]pentane-1,3,4-triol
CID 71004119
(4R)-4-[2-amino-6-(cyclopropylamino)purin-9-yl]-2-(hydroxymethyl)cyclopentan-1-ol
CID 54532575
[(3S)-3-[2-amino-6-(cyclopropylamino)purin-9-yl]cyclopentyl]methanol
CID 156801983
[(1R,4S)-4-[2-amino-6-(cyclooctylamino)purin-9-yl]cyclopent-2-en-1-yl]methanol
CID 18646157
(2R,3R,4S,5R)-2-[2-amino-6-(cycloheptylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 10571693
7-N-cyclopentyl-2-methyltriazolo[4,5-d]pyrimidine-5,7-diamine
CID 143605568
7-N-cyclopentyl-2-propan-2-yltriazolo[4,5-d]pyrimidine-5,7-diamine
CID 59559188
[(2E)-2-[[2-amino-6-(cyclopropylamino)purin-9-yl]methylidene]cyclopropyl]methanol
CID 102121593

Frequently Asked Questions

What is the IUPAC name of (2S,4R,5R)-5-[2-amino-6-(cyclopentylamino)purin-9-yl]-2-methyl-4-nitrosohexan-1-ol?
The IUPAC name of (2S,4R,5R)-5-[2-amino-6-(cyclopentylamino)purin-9-yl]-2-methyl-4-nitrosohexan-1-ol (CID 88930269) is (2S,4R,5R)-5-[2-amino-6-(cyclopentylamino)purin-9-yl]-2-methyl-4-nitrosohexan-1-ol.
What is the SMILES notation for (2S,4R,5R)-5-[2-amino-6-(cyclopentylamino)purin-9-yl]-2-methyl-4-nitrosohexan-1-ol?
The canonical SMILES for (2S,4R,5R)-5-[2-amino-6-(cyclopentylamino)purin-9-yl]-2-methyl-4-nitrosohexan-1-ol is C[C@H](CO)C[C@@H](N=O)[C@@H](C)n1cnc2c(NC3CCCC3)nc(N)nc21.
What is the InChIKey of (2S,4R,5R)-5-[2-amino-6-(cyclopentylamino)purin-9-yl]-2-methyl-4-nitrosohexan-1-ol?
The InChIKey is OPLRTWXZWLALOW-DMDPSCGWSA-N. The full InChI is InChI=1S/C17H27N7O2/c1-10(8-25)7-13(23-26)11(2)24-9-19-14-15(20-12-5-3-4-6-12)21-17(18)22-16(14)24/h9-13,25H,3-8H2,1-2H3,(H3,18,20,21,22)/t10-,11+,13+/m0/s1.
What are the key properties of (2S,4R,5R)-5-[2-amino-6-(cyclopentylamino)purin-9-yl]-2-methyl-4-nitrosohexan-1-ol?
(2S,4R,5R)-5-[2-amino-6-(cyclopentylamino)purin-9-yl]-2-methyl-4-nitrosohexan-1-ol has a molecular weight of 361.45 g/mol, XLogP of 2.48, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R,5R)-5-[2-amino-6-(cyclopentylamino)purin-9-yl]-2-methyl-4-nitrosohexan-1-ol is sourced from PubChem (CID 88930269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).