cis-(1S,2R)-3-(hydroxymethyl)-5-(pyrimidin-4-ylamino)cyclopentane-1,2-diol;methane

C11H19N3O3 — CID 142588308

IUPACcis-(1S,2R)-3-(hydroxymethyl)-5-(pyrimidin-4-ylamino)cyclopentane-1,2-diol;methane
SMILESC.OCC1CC(Nc2ccncn2)[C@H](O)[C@@H]1O
InChIInChI=1S/C10H15N3O3.CH4/c14-4-6-3-7(10(16)9(6)15)13-8-1-2-11-5-12-8;/h1-2,5-7,9-10,14-16H,3-4H2,(H,11,12,13);1H4/t6?,7?,9-,10+;/m1./s1
InChIKeySRIAPZVJVCBSHE-NMTFPFLLSA-N
MW241.29 g/mol
LogP-0.37
Rot. Bonds3

About cis-(1S,2R)-3-(hydroxymethyl)-5-(pyrimidin-4-ylamino)cyclopentane-1,2-diol;methane

cis-(1S,2R)-3-(hydroxymethyl)-5-(pyrimidin-4-ylamino)cyclopentane-1,2-diol;methane (PubChem CID 142588308) has the molecular formula C11H19N3O3 and a molecular weight of 241.29 g/mol. Its IUPAC name is cis-(1S,2R)-3-(hydroxymethyl)-5-(pyrimidin-4-ylamino)cyclopentane-1,2-diol;methane.

Molecular Properties

Compound Namecis-(1S,2R)-3-(hydroxymethyl)-5-(pyrimidin-4-ylamino)cyclopentane-1,2-diol;methane
PubChem CID142588308
Molecular FormulaC11H19N3O3
Molecular Weight241.29 g/mol
Exact Mass241.14
IUPAC Namecis-(1S,2R)-3-(hydroxymethyl)-5-(pyrimidin-4-ylamino)cyclopentane-1,2-diol;methane
SMILESC.OCC1CC(Nc2ccncn2)[C@H](O)[C@@H]1O
InChIInChI=1S/C10H15N3O3.CH4/c14-4-6-3-7(10(16)9(6)15)13-8-1-2-11-5-12-8;/h1-2,5-7,9-10,14-16H,3-4H2,(H,11,12,13);1H4/t6?,7?,9-,10+;/m1./s1
InChIKeySRIAPZVJVCBSHE-NMTFPFLLSA-N
XLogP-0.37
TPSA98.50 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 5-0.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 87449896
CID 87449896
CID 141433565
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CID 141433641
CID 141433641
CID 142588254
CID 142588254
CID 142698720
CID 142698720
CID 142698723
CID 142698723
CID 152338069
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CID 152338070
CID 152338070

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-3-(hydroxymethyl)-5-(pyrimidin-4-ylamino)cyclopentane-1,2-diol;methane?
The IUPAC name of cis-(1S,2R)-3-(hydroxymethyl)-5-(pyrimidin-4-ylamino)cyclopentane-1,2-diol;methane (CID 142588308) is cis-(1S,2R)-3-(hydroxymethyl)-5-(pyrimidin-4-ylamino)cyclopentane-1,2-diol;methane.
What is the SMILES notation for cis-(1S,2R)-3-(hydroxymethyl)-5-(pyrimidin-4-ylamino)cyclopentane-1,2-diol;methane?
The canonical SMILES for cis-(1S,2R)-3-(hydroxymethyl)-5-(pyrimidin-4-ylamino)cyclopentane-1,2-diol;methane is C.OCC1CC(Nc2ccncn2)[C@H](O)[C@@H]1O.
What is the InChIKey of cis-(1S,2R)-3-(hydroxymethyl)-5-(pyrimidin-4-ylamino)cyclopentane-1,2-diol;methane?
The InChIKey is SRIAPZVJVCBSHE-NMTFPFLLSA-N. The full InChI is InChI=1S/C10H15N3O3.CH4/c14-4-6-3-7(10(16)9(6)15)13-8-1-2-11-5-12-8;/h1-2,5-7,9-10,14-16H,3-4H2,(H,11,12,13);1H4/t6?,7?,9-,10+;/m1./s1.
What are the key properties of cis-(1S,2R)-3-(hydroxymethyl)-5-(pyrimidin-4-ylamino)cyclopentane-1,2-diol;methane?
cis-(1S,2R)-3-(hydroxymethyl)-5-(pyrimidin-4-ylamino)cyclopentane-1,2-diol;methane has a molecular weight of 241.29 g/mol, XLogP of -0.37, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-3-(hydroxymethyl)-5-(pyrimidin-4-ylamino)cyclopentane-1,2-diol;methane is sourced from PubChem (CID 142588308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).