5-[[[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-methylamino]methyl]-1H-pyrimidine-2,4-dione

C12H19N3O4 — CID 110144741

IUPAC5-[[[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-methylamino]methyl]-1H-pyrimidine-2,4-dione
SMILESCN(Cc1c[nH]c(=O)[nH]c1=O)[C@@H]1CCC[C@@H](O)[C@@H]1O
InChIInChI=1S/C12H19N3O4/c1-15(8-3-2-4-9(16)10(8)17)6-7-5-13-12(19)14-11(7)18/h5,8-10,16-17H,2-4,6H2,1H3,(H2,13,14,18,19)/t8-,9-,10-/m1/s1
InChIKeyYBXMOGWSGWOFIC-OPRDCNLKSA-N
MW269.30 g/mol
LogP-1.23
Rot. Bonds3

About 5-[[[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-methylamino]methyl]-1H-pyrimidine-2,4-dione

5-[[[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-methylamino]methyl]-1H-pyrimidine-2,4-dione (PubChem CID 110144741) has the molecular formula C12H19N3O4 and a molecular weight of 269.30 g/mol. Its IUPAC name is 5-[[[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-methylamino]methyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[[[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-methylamino]methyl]-1H-pyrimidine-2,4-dione
PubChem CID110144741
Molecular FormulaC12H19N3O4
Molecular Weight269.30 g/mol
Exact Mass269.14
IUPAC Name5-[[[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-methylamino]methyl]-1H-pyrimidine-2,4-dione
SMILESCN(Cc1c[nH]c(=O)[nH]c1=O)[C@@H]1CCC[C@@H](O)[C@@H]1O
InChIInChI=1S/C12H19N3O4/c1-15(8-3-2-4-9(16)10(8)17)6-7-5-13-12(19)14-11(7)18/h5,8-10,16-17H,2-4,6H2,1H3,(H2,13,14,18,19)/t8-,9-,10-/m1/s1
InChIKeyYBXMOGWSGWOFIC-OPRDCNLKSA-N
XLogP-1.23
TPSA109.42 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 5-1.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 5-[[[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-methylamino]methyl]-1H-pyrimidine-2,4-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[[[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-methylamino]methyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[[[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-methylamino]methyl]-1H-pyrimidine-2,4-dione (CID 110144741) is 5-[[[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-methylamino]methyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[[[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-methylamino]methyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[[[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-methylamino]methyl]-1H-pyrimidine-2,4-dione is CN(Cc1c[nH]c(=O)[nH]c1=O)[C@@H]1CCC[C@@H](O)[C@@H]1O.
What is the InChIKey of 5-[[[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-methylamino]methyl]-1H-pyrimidine-2,4-dione?
The InChIKey is YBXMOGWSGWOFIC-OPRDCNLKSA-N. The full InChI is InChI=1S/C12H19N3O4/c1-15(8-3-2-4-9(16)10(8)17)6-7-5-13-12(19)14-11(7)18/h5,8-10,16-17H,2-4,6H2,1H3,(H2,13,14,18,19)/t8-,9-,10-/m1/s1.
What are the key properties of 5-[[[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-methylamino]methyl]-1H-pyrimidine-2,4-dione?
5-[[[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-methylamino]methyl]-1H-pyrimidine-2,4-dione has a molecular weight of 269.30 g/mol, XLogP of -1.23, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-methylamino]methyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 110144741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).