1-[(3R,4R)-4-hydroxy-4-methyl-1-propan-2-ylpiperidin-3-yl]pyrimidine-2,4-dione

C13H21N3O3 — CID 110146259

IUPAC1-[(3R,4R)-4-hydroxy-4-methyl-1-propan-2-ylpiperidin-3-yl]pyrimidine-2,4-dione
SMILESCC(C)N1CC[C@@](C)(O)[C@H](n2ccc(=O)[nH]c2=O)C1
InChIInChI=1S/C13H21N3O3/c1-9(2)15-7-5-13(3,19)10(8-15)16-6-4-11(17)14-12(16)18/h4,6,9-10,19H,5,7-8H2,1-3H3,(H,14,17,18)/t10-,13-/m1/s1
InChIKeyPMXJEHREUQCDPD-ZWNOBZJWSA-N
MW267.33 g/mol
LogP-0.06
Rot. Bonds2

About 1-[(3R,4R)-4-hydroxy-4-methyl-1-propan-2-ylpiperidin-3-yl]pyrimidine-2,4-dione

1-[(3R,4R)-4-hydroxy-4-methyl-1-propan-2-ylpiperidin-3-yl]pyrimidine-2,4-dione (PubChem CID 110146259) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is 1-[(3R,4R)-4-hydroxy-4-methyl-1-propan-2-ylpiperidin-3-yl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(3R,4R)-4-hydroxy-4-methyl-1-propan-2-ylpiperidin-3-yl]pyrimidine-2,4-dione
PubChem CID110146259
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name1-[(3R,4R)-4-hydroxy-4-methyl-1-propan-2-ylpiperidin-3-yl]pyrimidine-2,4-dione
SMILESCC(C)N1CC[C@@](C)(O)[C@H](n2ccc(=O)[nH]c2=O)C1
InChIInChI=1S/C13H21N3O3/c1-9(2)15-7-5-13(3,19)10(8-15)16-6-4-11(17)14-12(16)18/h4,6,9-10,19H,5,7-8H2,1-3H3,(H,14,17,18)/t10-,13-/m1/s1
InChIKeyPMXJEHREUQCDPD-ZWNOBZJWSA-N
XLogP-0.06
TPSA78.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(3R,4R)-4-hydroxy-4-methyl-1-propan-2-ylpiperidin-3-yl]pyrimidine-2,4-dione?
The IUPAC name of 1-[(3R,4R)-4-hydroxy-4-methyl-1-propan-2-ylpiperidin-3-yl]pyrimidine-2,4-dione (CID 110146259) is 1-[(3R,4R)-4-hydroxy-4-methyl-1-propan-2-ylpiperidin-3-yl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[(3R,4R)-4-hydroxy-4-methyl-1-propan-2-ylpiperidin-3-yl]pyrimidine-2,4-dione?
The canonical SMILES for 1-[(3R,4R)-4-hydroxy-4-methyl-1-propan-2-ylpiperidin-3-yl]pyrimidine-2,4-dione is CC(C)N1CC[C@@](C)(O)[C@H](n2ccc(=O)[nH]c2=O)C1.
What is the InChIKey of 1-[(3R,4R)-4-hydroxy-4-methyl-1-propan-2-ylpiperidin-3-yl]pyrimidine-2,4-dione?
The InChIKey is PMXJEHREUQCDPD-ZWNOBZJWSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-9(2)15-7-5-13(3,19)10(8-15)16-6-4-11(17)14-12(16)18/h4,6,9-10,19H,5,7-8H2,1-3H3,(H,14,17,18)/t10-,13-/m1/s1.
What are the key properties of 1-[(3R,4R)-4-hydroxy-4-methyl-1-propan-2-ylpiperidin-3-yl]pyrimidine-2,4-dione?
1-[(3R,4R)-4-hydroxy-4-methyl-1-propan-2-ylpiperidin-3-yl]pyrimidine-2,4-dione has a molecular weight of 267.33 g/mol, XLogP of -0.06, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R,4R)-4-hydroxy-4-methyl-1-propan-2-ylpiperidin-3-yl]pyrimidine-2,4-dione is sourced from PubChem (CID 110146259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).