(3S,4R)-1-(4,6-dimethoxypyrimidin-2-yl)-4-(hydroxymethyl)piperidin-3-ol

C12H19N3O4 — CID 56905725

IUPAC(3S,4R)-1-(4,6-dimethoxypyrimidin-2-yl)-4-(hydroxymethyl)piperidin-3-ol
SMILESCOc1cc(OC)nc(N2CC[C@H](CO)[C@H](O)C2)n1
InChIInChI=1S/C12H19N3O4/c1-18-10-5-11(19-2)14-12(13-10)15-4-3-8(7-16)9(17)6-15/h5,8-9,16-17H,3-4,6-7H2,1-2H3/t8-,9-/m1/s1
InChIKeyNGGLYRDCBLYBJO-RKDXNWHRSA-N
MW269.30 g/mol
LogP-0.33
Rot. Bonds4

About (3S,4R)-1-(4,6-dimethoxypyrimidin-2-yl)-4-(hydroxymethyl)piperidin-3-ol

(3S,4R)-1-(4,6-dimethoxypyrimidin-2-yl)-4-(hydroxymethyl)piperidin-3-ol (PubChem CID 56905725) has the molecular formula C12H19N3O4 and a molecular weight of 269.30 g/mol. Its IUPAC name is (3S,4R)-1-(4,6-dimethoxypyrimidin-2-yl)-4-(hydroxymethyl)piperidin-3-ol.

Molecular Properties

Compound Name(3S,4R)-1-(4,6-dimethoxypyrimidin-2-yl)-4-(hydroxymethyl)piperidin-3-ol
PubChem CID56905725
Molecular FormulaC12H19N3O4
Molecular Weight269.30 g/mol
Exact Mass269.14
IUPAC Name(3S,4R)-1-(4,6-dimethoxypyrimidin-2-yl)-4-(hydroxymethyl)piperidin-3-ol
SMILESCOc1cc(OC)nc(N2CC[C@H](CO)[C@H](O)C2)n1
InChIInChI=1S/C12H19N3O4/c1-18-10-5-11(19-2)14-12(13-10)15-4-3-8(7-16)9(17)6-15/h5,8-9,16-17H,3-4,6-7H2,1-2H3/t8-,9-/m1/s1
InChIKeyNGGLYRDCBLYBJO-RKDXNWHRSA-N
XLogP-0.33
TPSA87.94 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (3S,4R)-1-(4,6-dimethoxypyrimidin-2-yl)-4-(hydroxymethyl)piperidin-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-1-(4,6-dimethoxypyrimidin-2-yl)-4-(hydroxymethyl)piperidin-3-ol?
The IUPAC name of (3S,4R)-1-(4,6-dimethoxypyrimidin-2-yl)-4-(hydroxymethyl)piperidin-3-ol (CID 56905725) is (3S,4R)-1-(4,6-dimethoxypyrimidin-2-yl)-4-(hydroxymethyl)piperidin-3-ol.
What is the SMILES notation for (3S,4R)-1-(4,6-dimethoxypyrimidin-2-yl)-4-(hydroxymethyl)piperidin-3-ol?
The canonical SMILES for (3S,4R)-1-(4,6-dimethoxypyrimidin-2-yl)-4-(hydroxymethyl)piperidin-3-ol is COc1cc(OC)nc(N2CC[C@H](CO)[C@H](O)C2)n1.
What is the InChIKey of (3S,4R)-1-(4,6-dimethoxypyrimidin-2-yl)-4-(hydroxymethyl)piperidin-3-ol?
The InChIKey is NGGLYRDCBLYBJO-RKDXNWHRSA-N. The full InChI is InChI=1S/C12H19N3O4/c1-18-10-5-11(19-2)14-12(13-10)15-4-3-8(7-16)9(17)6-15/h5,8-9,16-17H,3-4,6-7H2,1-2H3/t8-,9-/m1/s1.
What are the key properties of (3S,4R)-1-(4,6-dimethoxypyrimidin-2-yl)-4-(hydroxymethyl)piperidin-3-ol?
(3S,4R)-1-(4,6-dimethoxypyrimidin-2-yl)-4-(hydroxymethyl)piperidin-3-ol has a molecular weight of 269.30 g/mol, XLogP of -0.33, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-1-(4,6-dimethoxypyrimidin-2-yl)-4-(hydroxymethyl)piperidin-3-ol is sourced from PubChem (CID 56905725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).