(2R,3R,4R,5R)-2-[3-(cyclopentylmethyl)cyclopentyl]-5-[(5-fluoropyrimidin-4-yl)amino]oxane-3,4-diol

C20H30FN3O3 — CID 166974937

IUPAC(2R,3R,4R,5R)-2-[3-(cyclopentylmethyl)cyclopentyl]-5-[(5-fluoropyrimidin-4-yl)amino]oxane-3,4-diol
SMILESO[C@@H]1[C@H](O)[C@H](Nc2ncncc2F)CO[C@@H]1C1CCC(CC2CCCC2)C1
InChIInChI=1S/C20H30FN3O3/c21-15-9-22-11-23-20(15)24-16-10-27-19(18(26)17(16)25)14-6-5-13(8-14)7-12-3-1-2-4-12/h9,11-14,16-19,25-26H,1-8,10H2,(H,22,23,24)/t13?,14?,16-,17-,18-,19-/m1/s1
InChIKeyFAWCPHUIPJTJOG-XSDOCPGWSA-N
MW379.48 g/mol
LogP2.51
Rot. Bonds5

About (2R,3R,4R,5R)-2-[3-(cyclopentylmethyl)cyclopentyl]-5-[(5-fluoropyrimidin-4-yl)amino]oxane-3,4-diol

(2R,3R,4R,5R)-2-[3-(cyclopentylmethyl)cyclopentyl]-5-[(5-fluoropyrimidin-4-yl)amino]oxane-3,4-diol (PubChem CID 166974937) has the molecular formula C20H30FN3O3 and a molecular weight of 379.48 g/mol. Its IUPAC name is (2R,3R,4R,5R)-2-[3-(cyclopentylmethyl)cyclopentyl]-5-[(5-fluoropyrimidin-4-yl)amino]oxane-3,4-diol.

Molecular Properties

Compound Name(2R,3R,4R,5R)-2-[3-(cyclopentylmethyl)cyclopentyl]-5-[(5-fluoropyrimidin-4-yl)amino]oxane-3,4-diol
PubChem CID166974937
Molecular FormulaC20H30FN3O3
Molecular Weight379.48 g/mol
Exact Mass379.23
IUPAC Name(2R,3R,4R,5R)-2-[3-(cyclopentylmethyl)cyclopentyl]-5-[(5-fluoropyrimidin-4-yl)amino]oxane-3,4-diol
SMILESO[C@@H]1[C@H](O)[C@H](Nc2ncncc2F)CO[C@@H]1C1CCC(CC2CCCC2)C1
InChIInChI=1S/C20H30FN3O3/c21-15-9-22-11-23-20(15)24-16-10-27-19(18(26)17(16)25)14-6-5-13(8-14)7-12-3-1-2-4-12/h9,11-14,16-19,25-26H,1-8,10H2,(H,22,23,24)/t13?,14?,16-,17-,18-,19-/m1/s1
InChIKeyFAWCPHUIPJTJOG-XSDOCPGWSA-N
XLogP2.51
TPSA87.50 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.48
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (2R,3R,4R,5R)-2-[3-(cyclopentylmethyl)cyclopentyl]-5-[(5-fluoropyrimidin-4-yl)amino]oxane-3,4-diol with MolForge

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Related Compounds

(2R,3R,4R,5S)-5-[(5-fluoropyrimidin-4-yl)amino]-2-(hydroxymethyl)oxane-3,4-diol
CID 166975297
(2R,3R,4R,5R)-5-[(5-fluoropyrimidin-4-yl)amino]-2-(hydroxymethyl)oxane-3,4-diol
CID 166975536
(3R,4R,5S)-2-[4-[3-(cyclopentylmethyl)cyclopentyl]cyclohexyl]-5-[[2-(trifluoromethyl)pyrimidin-4-yl]amino]oxane-3,4-diol
CID 167221272
(3R,4R,5S)-2-[3-[(4-cyclopentylcyclohexyl)methyl]cyclopentyl]-5-[[2-(trifluoromethyl)pyrimidin-4-yl]amino]oxane-3,4-diol
CID 167221293
(2S,3R,4R,5S)-5-[[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]amino]-2-[3-[2-[3-(cyclopentylmethyl)cyclobutyl]ethyl]cyclopentyl]-2-(hydroxymethyl)oxane-3,4-diol
CID 167221294
(3R,5S)-2-[3-(cyclopentylmethyl)cyclopentyl]-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]oxane-3,4-diol
CID 173997358
(2S,3R,4R,5R,6R)-6-[[3-[[3-(cyclobutylmethyl)cyclopentyl]methyl]cyclopentyl]methyl]-6-methyl-3-[[2-(trifluoromethyl)pyrimidin-4-yl]amino]oxane-2,4,5-triol
CID 174026636

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5R)-2-[3-(cyclopentylmethyl)cyclopentyl]-5-[(5-fluoropyrimidin-4-yl)amino]oxane-3,4-diol?
The IUPAC name of (2R,3R,4R,5R)-2-[3-(cyclopentylmethyl)cyclopentyl]-5-[(5-fluoropyrimidin-4-yl)amino]oxane-3,4-diol (CID 166974937) is (2R,3R,4R,5R)-2-[3-(cyclopentylmethyl)cyclopentyl]-5-[(5-fluoropyrimidin-4-yl)amino]oxane-3,4-diol.
What is the SMILES notation for (2R,3R,4R,5R)-2-[3-(cyclopentylmethyl)cyclopentyl]-5-[(5-fluoropyrimidin-4-yl)amino]oxane-3,4-diol?
The canonical SMILES for (2R,3R,4R,5R)-2-[3-(cyclopentylmethyl)cyclopentyl]-5-[(5-fluoropyrimidin-4-yl)amino]oxane-3,4-diol is O[C@@H]1[C@H](O)[C@H](Nc2ncncc2F)CO[C@@H]1C1CCC(CC2CCCC2)C1.
What is the InChIKey of (2R,3R,4R,5R)-2-[3-(cyclopentylmethyl)cyclopentyl]-5-[(5-fluoropyrimidin-4-yl)amino]oxane-3,4-diol?
The InChIKey is FAWCPHUIPJTJOG-XSDOCPGWSA-N. The full InChI is InChI=1S/C20H30FN3O3/c21-15-9-22-11-23-20(15)24-16-10-27-19(18(26)17(16)25)14-6-5-13(8-14)7-12-3-1-2-4-12/h9,11-14,16-19,25-26H,1-8,10H2,(H,22,23,24)/t13?,14?,16-,17-,18-,19-/m1/s1.
What are the key properties of (2R,3R,4R,5R)-2-[3-(cyclopentylmethyl)cyclopentyl]-5-[(5-fluoropyrimidin-4-yl)amino]oxane-3,4-diol?
(2R,3R,4R,5R)-2-[3-(cyclopentylmethyl)cyclopentyl]-5-[(5-fluoropyrimidin-4-yl)amino]oxane-3,4-diol has a molecular weight of 379.48 g/mol, XLogP of 2.51, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5R)-2-[3-(cyclopentylmethyl)cyclopentyl]-5-[(5-fluoropyrimidin-4-yl)amino]oxane-3,4-diol is sourced from PubChem (CID 166974937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).