(1R,2S,3R,5R)-3-[(2-amino-5-furo[2,3-c]pyridin-2-yl-6-methylpyrimidin-4-yl)amino]-5-(hydroxymethyl)cyclopentane-1,2-diol

C18H21N5O4 — CID 58570501

IUPAC(1R,2S,3R,5R)-3-[(2-amino-5-furo[2,3-c]pyridin-2-yl-6-methylpyrimidin-4-yl)amino]-5-(hydroxymethyl)cyclopentane-1,2-diol
SMILESCc1nc(N)nc(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)c1-c1cc2ccncc2o1
InChIInChI=1S/C18H21N5O4/c1-8-14(12-5-9-2-3-20-6-13(9)27-12)17(23-18(19)21-8)22-11-4-10(7-24)15(25)16(11)26/h2-3,5-6,10-11,15-16,24-26H,4,7H2,1H3,(H3,19,21,22,23)/t10-,11-,15-,16+/m1/s1
InChIKeyVSUIJFJCWQMSKU-WVATUKLVSA-N
MW371.40 g/mol
LogP0.69
Rot. Bonds4

About (1R,2S,3R,5R)-3-[(2-amino-5-furo[2,3-c]pyridin-2-yl-6-methylpyrimidin-4-yl)amino]-5-(hydroxymethyl)cyclopentane-1,2-diol

(1R,2S,3R,5R)-3-[(2-amino-5-furo[2,3-c]pyridin-2-yl-6-methylpyrimidin-4-yl)amino]-5-(hydroxymethyl)cyclopentane-1,2-diol (PubChem CID 58570501) has the molecular formula C18H21N5O4 and a molecular weight of 371.40 g/mol. Its IUPAC name is (1R,2S,3R,5R)-3-[(2-amino-5-furo[2,3-c]pyridin-2-yl-6-methylpyrimidin-4-yl)amino]-5-(hydroxymethyl)cyclopentane-1,2-diol.

Molecular Properties

Compound Name(1R,2S,3R,5R)-3-[(2-amino-5-furo[2,3-c]pyridin-2-yl-6-methylpyrimidin-4-yl)amino]-5-(hydroxymethyl)cyclopentane-1,2-diol
PubChem CID58570501
Molecular FormulaC18H21N5O4
Molecular Weight371.40 g/mol
Exact Mass371.16
IUPAC Name(1R,2S,3R,5R)-3-[(2-amino-5-furo[2,3-c]pyridin-2-yl-6-methylpyrimidin-4-yl)amino]-5-(hydroxymethyl)cyclopentane-1,2-diol
SMILESCc1nc(N)nc(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)c1-c1cc2ccncc2o1
InChIInChI=1S/C18H21N5O4/c1-8-14(12-5-9-2-3-20-6-13(9)27-12)17(23-18(19)21-8)22-11-4-10(7-24)15(25)16(11)26/h2-3,5-6,10-11,15-16,24-26H,4,7H2,1H3,(H3,19,21,22,23)/t10-,11-,15-,16+/m1/s1
InChIKeyVSUIJFJCWQMSKU-WVATUKLVSA-N
XLogP0.69
TPSA150.55 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 50.69
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

Analyze (1R,2S,3R,5R)-3-[(2-amino-5-furo[2,3-c]pyridin-2-yl-6-methylpyrimidin-4-yl)amino]-5-(hydroxymethyl)cyclopentane-1,2-diol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,2S,3R,5R)-3-[(2-amino-5-furo[2,3-c]pyridin-2-yl-6-methylpyrimidin-4-yl)amino]-5-(hydroxymethyl)cyclopentane-1,2-diol?
The IUPAC name of (1R,2S,3R,5R)-3-[(2-amino-5-furo[2,3-c]pyridin-2-yl-6-methylpyrimidin-4-yl)amino]-5-(hydroxymethyl)cyclopentane-1,2-diol (CID 58570501) is (1R,2S,3R,5R)-3-[(2-amino-5-furo[2,3-c]pyridin-2-yl-6-methylpyrimidin-4-yl)amino]-5-(hydroxymethyl)cyclopentane-1,2-diol.
What is the SMILES notation for (1R,2S,3R,5R)-3-[(2-amino-5-furo[2,3-c]pyridin-2-yl-6-methylpyrimidin-4-yl)amino]-5-(hydroxymethyl)cyclopentane-1,2-diol?
The canonical SMILES for (1R,2S,3R,5R)-3-[(2-amino-5-furo[2,3-c]pyridin-2-yl-6-methylpyrimidin-4-yl)amino]-5-(hydroxymethyl)cyclopentane-1,2-diol is Cc1nc(N)nc(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)c1-c1cc2ccncc2o1.
What is the InChIKey of (1R,2S,3R,5R)-3-[(2-amino-5-furo[2,3-c]pyridin-2-yl-6-methylpyrimidin-4-yl)amino]-5-(hydroxymethyl)cyclopentane-1,2-diol?
The InChIKey is VSUIJFJCWQMSKU-WVATUKLVSA-N. The full InChI is InChI=1S/C18H21N5O4/c1-8-14(12-5-9-2-3-20-6-13(9)27-12)17(23-18(19)21-8)22-11-4-10(7-24)15(25)16(11)26/h2-3,5-6,10-11,15-16,24-26H,4,7H2,1H3,(H3,19,21,22,23)/t10-,11-,15-,16+/m1/s1.
What are the key properties of (1R,2S,3R,5R)-3-[(2-amino-5-furo[2,3-c]pyridin-2-yl-6-methylpyrimidin-4-yl)amino]-5-(hydroxymethyl)cyclopentane-1,2-diol?
(1R,2S,3R,5R)-3-[(2-amino-5-furo[2,3-c]pyridin-2-yl-6-methylpyrimidin-4-yl)amino]-5-(hydroxymethyl)cyclopentane-1,2-diol has a molecular weight of 371.40 g/mol, XLogP of 0.69, 4 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,3R,5R)-3-[(2-amino-5-furo[2,3-c]pyridin-2-yl-6-methylpyrimidin-4-yl)amino]-5-(hydroxymethyl)cyclopentane-1,2-diol is sourced from PubChem (CID 58570501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).