4-amino-1-[4-tert-butyl-5-[(2R)-3,3-dimethylbutan-2-yl]-3-fluorooxolan-2-yl]pyrimidin-2-one

C18H30FN3O2 — CID 174181998

IUPAC4-amino-1-[4-tert-butyl-5-[(2R)-3,3-dimethylbutan-2-yl]-3-fluorooxolan-2-yl]pyrimidin-2-one
SMILESC[C@@H](C1OC(n2ccc(N)nc2=O)C(F)C1C(C)(C)C)C(C)(C)C
InChIInChI=1S/C18H30FN3O2/c1-10(17(2,3)4)14-12(18(5,6)7)13(19)15(24-14)22-9-8-11(20)21-16(22)23/h8-10,12-15H,1-7H3,(H2,20,21,23)/t10-,12?,13?,14?,15?/m0/s1
InChIKeyHNFRVSKOEJGCPK-MGZXXMPLSA-N
MW339.46 g/mol
LogP3.41
Rot. Bonds2

About 4-amino-1-[4-tert-butyl-5-[(2R)-3,3-dimethylbutan-2-yl]-3-fluorooxolan-2-yl]pyrimidin-2-one

4-amino-1-[4-tert-butyl-5-[(2R)-3,3-dimethylbutan-2-yl]-3-fluorooxolan-2-yl]pyrimidin-2-one (PubChem CID 174181998) has the molecular formula C18H30FN3O2 and a molecular weight of 339.46 g/mol. Its IUPAC name is 4-amino-1-[4-tert-butyl-5-[(2R)-3,3-dimethylbutan-2-yl]-3-fluorooxolan-2-yl]pyrimidin-2-one.

Molecular Properties

Compound Name4-amino-1-[4-tert-butyl-5-[(2R)-3,3-dimethylbutan-2-yl]-3-fluorooxolan-2-yl]pyrimidin-2-one
PubChem CID174181998
Molecular FormulaC18H30FN3O2
Molecular Weight339.46 g/mol
Exact Mass339.23
IUPAC Name4-amino-1-[4-tert-butyl-5-[(2R)-3,3-dimethylbutan-2-yl]-3-fluorooxolan-2-yl]pyrimidin-2-one
SMILESC[C@@H](C1OC(n2ccc(N)nc2=O)C(F)C1C(C)(C)C)C(C)(C)C
InChIInChI=1S/C18H30FN3O2/c1-10(17(2,3)4)14-12(18(5,6)7)13(19)15(24-14)22-9-8-11(20)21-16(22)23/h8-10,12-15H,1-7H3,(H2,20,21,23)/t10-,12?,13?,14?,15?/m0/s1
InChIKeyHNFRVSKOEJGCPK-MGZXXMPLSA-N
XLogP3.41
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-1-[(2R,3S,5R)-3-fluoro-4-hydroxy-5-(1-hydroxyethyl)oxolan-2-yl]pyrimidin-2-one
CID 70842179
4-amino-1-[(2R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 21117608
4-amino-1-[4-tert-butyl-5-(2,2-dimethylpropyl)-3-hydroxyoxolan-2-yl]pyrimidin-2-one
CID 174181688
4-amino-1-[(2R,3S,4R,5R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 59795629
4-amino-1-[(3R,5S)-3-tert-butyl-5-(2,2-dimethylpropyl)oxolan-2-yl]pyrimidin-2-one
CID 174181783
4-amino-1-[(2R,4R,5R)-3,4-dihydroxy-5-(2-methylpropyl)oxolan-2-yl]pyrimidin-2-one
CID 121336842
[(2R,4S,6R)-6-(4-amino-2-oxopyrimidin-1-yl)-4,5-difluoro-3-hydroxyoxan-2-yl]methyl 2-(3-methyl-2-oxobutoxy)acetate
CID 174025304
4-amino-1-[(2R,3S,4R)-5,5-diethyl-3-fluoro-4-methyloxolan-2-yl]pyrimidin-2-one
CID 121430258
4-amino-1-[(2R,3R,5S)-4-(difluoromethyl)-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 126586873
4-amino-1-[(2S,3S,5R)-3-fluoro-5-(hydroxymethyl)-4-methylideneoxolan-2-yl]pyrimidin-2-one
CID 53250459
4-amino-1-[(2R,3R,4E,5S)-3-fluoro-5-(hydroxymethyl)-4-methoxyiminooxolan-2-yl]pyrimidin-2-one
CID 59051696
4-amino-1-[(2R,3R,4R,5R)-3-fluoro-4-(oxan-2-yloxy)-5-(oxan-2-yloxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 10409486

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[4-tert-butyl-5-[(2R)-3,3-dimethylbutan-2-yl]-3-fluorooxolan-2-yl]pyrimidin-2-one?
The IUPAC name of 4-amino-1-[4-tert-butyl-5-[(2R)-3,3-dimethylbutan-2-yl]-3-fluorooxolan-2-yl]pyrimidin-2-one (CID 174181998) is 4-amino-1-[4-tert-butyl-5-[(2R)-3,3-dimethylbutan-2-yl]-3-fluorooxolan-2-yl]pyrimidin-2-one.
What is the SMILES notation for 4-amino-1-[4-tert-butyl-5-[(2R)-3,3-dimethylbutan-2-yl]-3-fluorooxolan-2-yl]pyrimidin-2-one?
The canonical SMILES for 4-amino-1-[4-tert-butyl-5-[(2R)-3,3-dimethylbutan-2-yl]-3-fluorooxolan-2-yl]pyrimidin-2-one is C[C@@H](C1OC(n2ccc(N)nc2=O)C(F)C1C(C)(C)C)C(C)(C)C.
What is the InChIKey of 4-amino-1-[4-tert-butyl-5-[(2R)-3,3-dimethylbutan-2-yl]-3-fluorooxolan-2-yl]pyrimidin-2-one?
The InChIKey is HNFRVSKOEJGCPK-MGZXXMPLSA-N. The full InChI is InChI=1S/C18H30FN3O2/c1-10(17(2,3)4)14-12(18(5,6)7)13(19)15(24-14)22-9-8-11(20)21-16(22)23/h8-10,12-15H,1-7H3,(H2,20,21,23)/t10-,12?,13?,14?,15?/m0/s1.
What are the key properties of 4-amino-1-[4-tert-butyl-5-[(2R)-3,3-dimethylbutan-2-yl]-3-fluorooxolan-2-yl]pyrimidin-2-one?
4-amino-1-[4-tert-butyl-5-[(2R)-3,3-dimethylbutan-2-yl]-3-fluorooxolan-2-yl]pyrimidin-2-one has a molecular weight of 339.46 g/mol, XLogP of 3.41, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[4-tert-butyl-5-[(2R)-3,3-dimethylbutan-2-yl]-3-fluorooxolan-2-yl]pyrimidin-2-one is sourced from PubChem (CID 174181998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).