4-(dimethylamino)-1-[(2R,4R,5R)-4-hydroxy-5-(tritiomethyl)oxolan-2-yl]pyrimidin-2-one

C11H17N3O3 — CID 121479666

IUPAC4-(dimethylamino)-1-[(2R,4R,5R)-4-hydroxy-5-(tritiomethyl)oxolan-2-yl]pyrimidin-2-one
SMILES[3H]C[C@H]1O[C@@H](n2ccc(N(C)C)nc2=O)C[C@H]1O
InChIInChI=1S/C11H17N3O3/c1-7-8(15)6-10(17-7)14-5-4-9(13(2)3)12-11(14)16/h4-5,7-8,10,15H,6H2,1-3H3/t7-,8-,10-/m1/s1/i1T
InChIKeyGMHJUFBXUBPPGN-DQFNYMKMSA-N
MW241.28 g/mol
LogP-0.02
Rot. Bonds3

About 4-(dimethylamino)-1-[(2R,4R,5R)-4-hydroxy-5-(tritiomethyl)oxolan-2-yl]pyrimidin-2-one

4-(dimethylamino)-1-[(2R,4R,5R)-4-hydroxy-5-(tritiomethyl)oxolan-2-yl]pyrimidin-2-one (PubChem CID 121479666) has the molecular formula C11H17N3O3 and a molecular weight of 241.28 g/mol. Its IUPAC name is 4-(dimethylamino)-1-[(2R,4R,5R)-4-hydroxy-5-(tritiomethyl)oxolan-2-yl]pyrimidin-2-one.

Molecular Properties

Compound Name4-(dimethylamino)-1-[(2R,4R,5R)-4-hydroxy-5-(tritiomethyl)oxolan-2-yl]pyrimidin-2-one
PubChem CID121479666
Molecular FormulaC11H17N3O3
Molecular Weight241.28 g/mol
Exact Mass241.14
IUPAC Name4-(dimethylamino)-1-[(2R,4R,5R)-4-hydroxy-5-(tritiomethyl)oxolan-2-yl]pyrimidin-2-one
SMILES[3H]C[C@H]1O[C@@H](n2ccc(N(C)C)nc2=O)C[C@H]1O
InChIInChI=1S/C11H17N3O3/c1-7-8(15)6-10(17-7)14-5-4-9(13(2)3)12-11(14)16/h4-5,7-8,10,15H,6H2,1-3H3/t7-,8-,10-/m1/s1/i1T
InChIKeyGMHJUFBXUBPPGN-DQFNYMKMSA-N
XLogP-0.02
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.28
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-1-[(2R,4R,5R)-4-hydroxy-5-(tritiomethyl)oxolan-2-yl]pyrimidin-2-one?
The IUPAC name of 4-(dimethylamino)-1-[(2R,4R,5R)-4-hydroxy-5-(tritiomethyl)oxolan-2-yl]pyrimidin-2-one (CID 121479666) is 4-(dimethylamino)-1-[(2R,4R,5R)-4-hydroxy-5-(tritiomethyl)oxolan-2-yl]pyrimidin-2-one.
What is the SMILES notation for 4-(dimethylamino)-1-[(2R,4R,5R)-4-hydroxy-5-(tritiomethyl)oxolan-2-yl]pyrimidin-2-one?
The canonical SMILES for 4-(dimethylamino)-1-[(2R,4R,5R)-4-hydroxy-5-(tritiomethyl)oxolan-2-yl]pyrimidin-2-one is [3H]C[C@H]1O[C@@H](n2ccc(N(C)C)nc2=O)C[C@H]1O.
What is the InChIKey of 4-(dimethylamino)-1-[(2R,4R,5R)-4-hydroxy-5-(tritiomethyl)oxolan-2-yl]pyrimidin-2-one?
The InChIKey is GMHJUFBXUBPPGN-DQFNYMKMSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-7-8(15)6-10(17-7)14-5-4-9(13(2)3)12-11(14)16/h4-5,7-8,10,15H,6H2,1-3H3/t7-,8-,10-/m1/s1/i1T.
What are the key properties of 4-(dimethylamino)-1-[(2R,4R,5R)-4-hydroxy-5-(tritiomethyl)oxolan-2-yl]pyrimidin-2-one?
4-(dimethylamino)-1-[(2R,4R,5R)-4-hydroxy-5-(tritiomethyl)oxolan-2-yl]pyrimidin-2-one has a molecular weight of 241.28 g/mol, XLogP of -0.02, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-1-[(2R,4R,5R)-4-hydroxy-5-(tritiomethyl)oxolan-2-yl]pyrimidin-2-one is sourced from PubChem (CID 121479666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).