1-[(2S,3S,5S)-3-(dimethylamino)-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione

C12H19N3O4 — CID 100955553

IUPAC1-[(2S,3S,5S)-3-(dimethylamino)-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
SMILESCc1cn([C@H]2O[C@H](CO)C[C@@H]2N(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C12H19N3O4/c1-7-5-15(12(18)13-10(7)17)11-9(14(2)3)4-8(6-16)19-11/h5,8-9,11,16H,4,6H2,1-3H3,(H,13,17,18)/t8-,9-,11-/m0/s1
InChIKeyIETPUPWMONNQNP-QXEWZRGKSA-N
MW269.30 g/mol
LogP-0.94
Rot. Bonds3

About 1-[(2S,3S,5S)-3-(dimethylamino)-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione

1-[(2S,3S,5S)-3-(dimethylamino)-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione (PubChem CID 100955553) has the molecular formula C12H19N3O4 and a molecular weight of 269.30 g/mol. Its IUPAC name is 1-[(2S,3S,5S)-3-(dimethylamino)-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(2S,3S,5S)-3-(dimethylamino)-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
PubChem CID100955553
Molecular FormulaC12H19N3O4
Molecular Weight269.30 g/mol
Exact Mass269.14
IUPAC Name1-[(2S,3S,5S)-3-(dimethylamino)-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
SMILESCc1cn([C@H]2O[C@H](CO)C[C@@H]2N(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C12H19N3O4/c1-7-5-15(12(18)13-10(7)17)11-9(14(2)3)4-8(6-16)19-11/h5,8-9,11,16H,4,6H2,1-3H3,(H,13,17,18)/t8-,9-,11-/m0/s1
InChIKeyIETPUPWMONNQNP-QXEWZRGKSA-N
XLogP-0.94
TPSA87.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 5-0.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(2R,3R,5S)-5-(hydroxymethyl)-3-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 10490207
chloromethane;1-[(3S)-3-fluoro-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 169190487
1-[(2S,3R,5S)-5-(hydroxymethyl)-3-(trifluoromethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 10685170
1-[(3R)-5-(hydroxymethyl)-3-(2-hydroxypropan-2-yloxy)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 166858468
1-[(2R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 140704946
1-[(2S,3R,4S,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 7282395
1-[3,4-bis(hydroxymethyl)oxetan-2-yl]-5-methylpyrimidine-2,4-dione
CID 23353423
1-[(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 6473775
1-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxy(113C)methyl)(2,3,4,5-13C4)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 139024626
1-[(1R,2R,4R,5S)-4-(hydroxymethyl)-6-oxabicyclo[3.1.0]hexan-2-yl]-5-methylpyrimidine-2,4-dione
CID 102420692
1-[(2S,5R)-4,5-bis(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 154531744
1-[(2S,3S,5R)-3-(dimethylamino)-5-(hydroxymethyl)-3-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 100955555

Frequently Asked Questions

What is the IUPAC name of 1-[(2S,3S,5S)-3-(dimethylamino)-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione?
The IUPAC name of 1-[(2S,3S,5S)-3-(dimethylamino)-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione (CID 100955553) is 1-[(2S,3S,5S)-3-(dimethylamino)-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione.
What is the SMILES notation for 1-[(2S,3S,5S)-3-(dimethylamino)-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione?
The canonical SMILES for 1-[(2S,3S,5S)-3-(dimethylamino)-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione is Cc1cn([C@H]2O[C@H](CO)C[C@@H]2N(C)C)c(=O)[nH]c1=O.
What is the InChIKey of 1-[(2S,3S,5S)-3-(dimethylamino)-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione?
The InChIKey is IETPUPWMONNQNP-QXEWZRGKSA-N. The full InChI is InChI=1S/C12H19N3O4/c1-7-5-15(12(18)13-10(7)17)11-9(14(2)3)4-8(6-16)19-11/h5,8-9,11,16H,4,6H2,1-3H3,(H,13,17,18)/t8-,9-,11-/m0/s1.
What are the key properties of 1-[(2S,3S,5S)-3-(dimethylamino)-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione?
1-[(2S,3S,5S)-3-(dimethylamino)-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione has a molecular weight of 269.30 g/mol, XLogP of -0.94, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,3S,5S)-3-(dimethylamino)-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione is sourced from PubChem (CID 100955553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).