(1R,4S)-4-(4-amino-5-fluoro-2H-pyrimidin-1-yl)-3-fluoro-2-(hydroxymethyl)cyclopent-2-en-1-ol

C10H13F2N3O2 — CID 141130298

IUPAC(1R,4S)-4-(4-amino-5-fluoro-2H-pyrimidin-1-yl)-3-fluoro-2-(hydroxymethyl)cyclopent-2-en-1-ol
SMILESNC1=NCN([C@H]2C[C@@H](O)C(CO)=C2F)C=C1F
InChIInChI=1S/C10H13F2N3O2/c11-6-2-15(4-14-10(6)13)7-1-8(17)5(3-16)9(7)12/h2,7-8,16-17H,1,3-4H2,(H2,13,14)/t7-,8+/m0/s1
InChIKeyFMNIXZCSDCQXCI-JGVFFNPUSA-N
MW245.23 g/mol
LogP-0.22
Rot. Bonds2

About (1R,4S)-4-(4-amino-5-fluoro-2H-pyrimidin-1-yl)-3-fluoro-2-(hydroxymethyl)cyclopent-2-en-1-ol

(1R,4S)-4-(4-amino-5-fluoro-2H-pyrimidin-1-yl)-3-fluoro-2-(hydroxymethyl)cyclopent-2-en-1-ol (PubChem CID 141130298) has the molecular formula C10H13F2N3O2 and a molecular weight of 245.23 g/mol. Its IUPAC name is (1R,4S)-4-(4-amino-5-fluoro-2H-pyrimidin-1-yl)-3-fluoro-2-(hydroxymethyl)cyclopent-2-en-1-ol.

Molecular Properties

Compound Name(1R,4S)-4-(4-amino-5-fluoro-2H-pyrimidin-1-yl)-3-fluoro-2-(hydroxymethyl)cyclopent-2-en-1-ol
PubChem CID141130298
Molecular FormulaC10H13F2N3O2
Molecular Weight245.23 g/mol
Exact Mass245.10
IUPAC Name(1R,4S)-4-(4-amino-5-fluoro-2H-pyrimidin-1-yl)-3-fluoro-2-(hydroxymethyl)cyclopent-2-en-1-ol
SMILESNC1=NCN([C@H]2C[C@@H](O)C(CO)=C2F)C=C1F
InChIInChI=1S/C10H13F2N3O2/c11-6-2-15(4-14-10(6)13)7-1-8(17)5(3-16)9(7)12/h2,7-8,16-17H,1,3-4H2,(H2,13,14)/t7-,8+/m0/s1
InChIKeyFMNIXZCSDCQXCI-JGVFFNPUSA-N
XLogP-0.22
TPSA82.08 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.23
LogP ≤ 5-0.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1R,4S)-4-(4-amino-5-fluoro-2H-pyrimidin-1-yl)-3-fluoro-2-(hydroxymethyl)cyclopent-2-en-1-ol?
The IUPAC name of (1R,4S)-4-(4-amino-5-fluoro-2H-pyrimidin-1-yl)-3-fluoro-2-(hydroxymethyl)cyclopent-2-en-1-ol (CID 141130298) is (1R,4S)-4-(4-amino-5-fluoro-2H-pyrimidin-1-yl)-3-fluoro-2-(hydroxymethyl)cyclopent-2-en-1-ol.
What is the SMILES notation for (1R,4S)-4-(4-amino-5-fluoro-2H-pyrimidin-1-yl)-3-fluoro-2-(hydroxymethyl)cyclopent-2-en-1-ol?
The canonical SMILES for (1R,4S)-4-(4-amino-5-fluoro-2H-pyrimidin-1-yl)-3-fluoro-2-(hydroxymethyl)cyclopent-2-en-1-ol is NC1=NCN([C@H]2C[C@@H](O)C(CO)=C2F)C=C1F.
What is the InChIKey of (1R,4S)-4-(4-amino-5-fluoro-2H-pyrimidin-1-yl)-3-fluoro-2-(hydroxymethyl)cyclopent-2-en-1-ol?
The InChIKey is FMNIXZCSDCQXCI-JGVFFNPUSA-N. The full InChI is InChI=1S/C10H13F2N3O2/c11-6-2-15(4-14-10(6)13)7-1-8(17)5(3-16)9(7)12/h2,7-8,16-17H,1,3-4H2,(H2,13,14)/t7-,8+/m0/s1.
What are the key properties of (1R,4S)-4-(4-amino-5-fluoro-2H-pyrimidin-1-yl)-3-fluoro-2-(hydroxymethyl)cyclopent-2-en-1-ol?
(1R,4S)-4-(4-amino-5-fluoro-2H-pyrimidin-1-yl)-3-fluoro-2-(hydroxymethyl)cyclopent-2-en-1-ol has a molecular weight of 245.23 g/mol, XLogP of -0.22, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4S)-4-(4-amino-5-fluoro-2H-pyrimidin-1-yl)-3-fluoro-2-(hydroxymethyl)cyclopent-2-en-1-ol is sourced from PubChem (CID 141130298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).