1-[(2R,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-4-(2-methylpentylamino)pyrimidin-2-one

C15H24FN3O4 — CID 57073808

IUPAC1-[(2R,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-4-(2-methylpentylamino)pyrimidin-2-one
SMILESCCCC(C)CNc1nc(=O)n([C@@H]2O[C@H](C)C(O)C2O)cc1F
InChIInChI=1S/C15H24FN3O4/c1-4-5-8(2)6-17-13-10(16)7-19(15(22)18-13)14-12(21)11(20)9(3)23-14/h7-9,11-12,14,20-21H,4-6H2,1-3H3,(H,17,18,22)/t8?,9-,11?,12?,14-/m1/s1
InChIKeyGENBIMPDGJAPPZ-WUYUCERHSA-N
MW329.37 g/mol
LogP0.87
Rot. Bonds6

About 1-[(2R,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-4-(2-methylpentylamino)pyrimidin-2-one

1-[(2R,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-4-(2-methylpentylamino)pyrimidin-2-one (PubChem CID 57073808) has the molecular formula C15H24FN3O4 and a molecular weight of 329.37 g/mol. Its IUPAC name is 1-[(2R,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-4-(2-methylpentylamino)pyrimidin-2-one.

Molecular Properties

Compound Name1-[(2R,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-4-(2-methylpentylamino)pyrimidin-2-one
PubChem CID57073808
Molecular FormulaC15H24FN3O4
Molecular Weight329.37 g/mol
Exact Mass329.18
IUPAC Name1-[(2R,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-4-(2-methylpentylamino)pyrimidin-2-one
SMILESCCCC(C)CNc1nc(=O)n([C@@H]2O[C@H](C)C(O)C2O)cc1F
InChIInChI=1S/C15H24FN3O4/c1-4-5-8(2)6-17-13-10(16)7-19(15(22)18-13)14-12(21)11(20)9(3)23-14/h7-9,11-12,14,20-21H,4-6H2,1-3H3,(H,17,18,22)/t8?,9-,11?,12?,14-/m1/s1
InChIKeyGENBIMPDGJAPPZ-WUYUCERHSA-N
XLogP0.87
TPSA96.61 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.37
LogP ≤ 50.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-4-(2-methylpentylamino)pyrimidin-2-one?
The IUPAC name of 1-[(2R,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-4-(2-methylpentylamino)pyrimidin-2-one (CID 57073808) is 1-[(2R,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-4-(2-methylpentylamino)pyrimidin-2-one.
What is the SMILES notation for 1-[(2R,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-4-(2-methylpentylamino)pyrimidin-2-one?
The canonical SMILES for 1-[(2R,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-4-(2-methylpentylamino)pyrimidin-2-one is CCCC(C)CNc1nc(=O)n([C@@H]2O[C@H](C)C(O)C2O)cc1F.
What is the InChIKey of 1-[(2R,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-4-(2-methylpentylamino)pyrimidin-2-one?
The InChIKey is GENBIMPDGJAPPZ-WUYUCERHSA-N. The full InChI is InChI=1S/C15H24FN3O4/c1-4-5-8(2)6-17-13-10(16)7-19(15(22)18-13)14-12(21)11(20)9(3)23-14/h7-9,11-12,14,20-21H,4-6H2,1-3H3,(H,17,18,22)/t8?,9-,11?,12?,14-/m1/s1.
What are the key properties of 1-[(2R,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-4-(2-methylpentylamino)pyrimidin-2-one?
1-[(2R,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-4-(2-methylpentylamino)pyrimidin-2-one has a molecular weight of 329.37 g/mol, XLogP of 0.87, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-4-(2-methylpentylamino)pyrimidin-2-one is sourced from PubChem (CID 57073808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).