(2R,3R,4S,5R)-2-(6-amino-1-methyl-6H-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol

C11H17N5O4 — CID 10221419

IUPAC(2R,3R,4S,5R)-2-(6-amino-1-methyl-6H-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
SMILESCN1C=Nc2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C1N
InChIInChI=1S/C11H17N5O4/c1-15-3-14-10-6(9(15)12)13-4-16(10)11-8(19)7(18)5(2-17)20-11/h3-5,7-9,11,17-19H,2,12H2,1H3/t5-,7-,8-,9?,11-/m1/s1
InChIKeyQHCMFPDWJHSCMP-YBMJRPSPSA-N
MW283.29 g/mol
LogP-1.94
Rot. Bonds2

About (2R,3R,4S,5R)-2-(6-amino-1-methyl-6H-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol

(2R,3R,4S,5R)-2-(6-amino-1-methyl-6H-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol (PubChem CID 10221419) has the molecular formula C11H17N5O4 and a molecular weight of 283.29 g/mol. Its IUPAC name is (2R,3R,4S,5R)-2-(6-amino-1-methyl-6H-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol.

Molecular Properties

Compound Name(2R,3R,4S,5R)-2-(6-amino-1-methyl-6H-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
PubChem CID10221419
Molecular FormulaC11H17N5O4
Molecular Weight283.29 g/mol
Exact Mass283.13
IUPAC Name(2R,3R,4S,5R)-2-(6-amino-1-methyl-6H-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
SMILESCN1C=Nc2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C1N
InChIInChI=1S/C11H17N5O4/c1-15-3-14-10-6(9(15)12)13-4-16(10)11-8(19)7(18)5(2-17)20-11/h3-5,7-9,11,17-19H,2,12H2,1H3/t5-,7-,8-,9?,11-/m1/s1
InChIKeyQHCMFPDWJHSCMP-YBMJRPSPSA-N
XLogP-1.94
TPSA129.36 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 5-1.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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Related Compounds

(2R,5R)-5-(6-amino-1-methyl-6H-purin-9-yl)-2-(hydroxymethyl)-4-(methylsulfanylmethoxy)oxolan-3-ol
CID 142047186
(2R,5R)-2-[6-amino-1-[(2-methoxyphenyl)methoxy]-6H-purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 57053917
(2R,5R)-2-[6-amino-1-[(2,6-difluorophenyl)methoxy]-6H-purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 57259069
5-(8-amino-7-ethyl-7,8-dihydro-6H-imidazo[4,5-b]azepin-3-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol
CID 123238254
2-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1-methylpurin-6-one
CID 158990241
2-(6-amino-3-methyl-4H-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 77151545
(2R,3R,4S,5R)-2-(4,5-dichloroimidazol-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 3012563
(2R,3R,4S,5R)-2-(5-aminoimidazol-1-yl)-5-(hydroxymethyl)(313C)oxolane-3,4-diol
CID 11401650
4-amino-1-[(2R,3S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3,5-triazin-2-one
CID 158812612
4-amino-1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3,5-triazin-2-one
CID 1805
4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3,5-triazin-2-one
CID 67397647
4-(15N)azanyl-1-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-(1,3,5-15N3)1,3,5-triazin-2-one
CID 57369194

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5R)-2-(6-amino-1-methyl-6H-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol?
The IUPAC name of (2R,3R,4S,5R)-2-(6-amino-1-methyl-6H-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol (CID 10221419) is (2R,3R,4S,5R)-2-(6-amino-1-methyl-6H-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol.
What is the SMILES notation for (2R,3R,4S,5R)-2-(6-amino-1-methyl-6H-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol?
The canonical SMILES for (2R,3R,4S,5R)-2-(6-amino-1-methyl-6H-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol is CN1C=Nc2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C1N.
What is the InChIKey of (2R,3R,4S,5R)-2-(6-amino-1-methyl-6H-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol?
The InChIKey is QHCMFPDWJHSCMP-YBMJRPSPSA-N. The full InChI is InChI=1S/C11H17N5O4/c1-15-3-14-10-6(9(15)12)13-4-16(10)11-8(19)7(18)5(2-17)20-11/h3-5,7-9,11,17-19H,2,12H2,1H3/t5-,7-,8-,9?,11-/m1/s1.
What are the key properties of (2R,3R,4S,5R)-2-(6-amino-1-methyl-6H-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol?
(2R,3R,4S,5R)-2-(6-amino-1-methyl-6H-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol has a molecular weight of 283.29 g/mol, XLogP of -1.94, 2 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5R)-2-(6-amino-1-methyl-6H-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol is sourced from PubChem (CID 10221419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).