(3S,4S)-1-[4-(dimethylamino)-5-methylpyrimidin-2-yl]-4-methylpiperidine-3,4-diol

C13H22N4O2 — CID 72877463

IUPAC(3S,4S)-1-[4-(dimethylamino)-5-methylpyrimidin-2-yl]-4-methylpiperidine-3,4-diol
SMILESCc1cnc(N2CC[C@](C)(O)[C@@H](O)C2)nc1N(C)C
InChIInChI=1S/C13H22N4O2/c1-9-7-14-12(15-11(9)16(3)4)17-6-5-13(2,19)10(18)8-17/h7,10,18-19H,5-6,8H2,1-4H3/t10-,13-/m0/s1
InChIKeyCABXQTFPIOETTD-GWCFXTLKSA-N
MW266.34 g/mol
LogP0.17
Rot. Bonds2

About (3S,4S)-1-[4-(dimethylamino)-5-methylpyrimidin-2-yl]-4-methylpiperidine-3,4-diol

(3S,4S)-1-[4-(dimethylamino)-5-methylpyrimidin-2-yl]-4-methylpiperidine-3,4-diol (PubChem CID 72877463) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is (3S,4S)-1-[4-(dimethylamino)-5-methylpyrimidin-2-yl]-4-methylpiperidine-3,4-diol.

Molecular Properties

Compound Name(3S,4S)-1-[4-(dimethylamino)-5-methylpyrimidin-2-yl]-4-methylpiperidine-3,4-diol
PubChem CID72877463
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name(3S,4S)-1-[4-(dimethylamino)-5-methylpyrimidin-2-yl]-4-methylpiperidine-3,4-diol
SMILESCc1cnc(N2CC[C@](C)(O)[C@@H](O)C2)nc1N(C)C
InChIInChI=1S/C13H22N4O2/c1-9-7-14-12(15-11(9)16(3)4)17-6-5-13(2,19)10(18)8-17/h7,10,18-19H,5-6,8H2,1-4H3/t10-,13-/m0/s1
InChIKeyCABXQTFPIOETTD-GWCFXTLKSA-N
XLogP0.17
TPSA72.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (3S,4S)-1-[4-(dimethylamino)-5-methylpyrimidin-2-yl]-4-methylpiperidine-3,4-diol 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,4S)-1-[4-(dimethylamino)-5-methylpyrimidin-2-yl]-4-methylpiperidine-3,4-diol?
The IUPAC name of (3S,4S)-1-[4-(dimethylamino)-5-methylpyrimidin-2-yl]-4-methylpiperidine-3,4-diol (CID 72877463) is (3S,4S)-1-[4-(dimethylamino)-5-methylpyrimidin-2-yl]-4-methylpiperidine-3,4-diol.
What is the SMILES notation for (3S,4S)-1-[4-(dimethylamino)-5-methylpyrimidin-2-yl]-4-methylpiperidine-3,4-diol?
The canonical SMILES for (3S,4S)-1-[4-(dimethylamino)-5-methylpyrimidin-2-yl]-4-methylpiperidine-3,4-diol is Cc1cnc(N2CC[C@](C)(O)[C@@H](O)C2)nc1N(C)C.
What is the InChIKey of (3S,4S)-1-[4-(dimethylamino)-5-methylpyrimidin-2-yl]-4-methylpiperidine-3,4-diol?
The InChIKey is CABXQTFPIOETTD-GWCFXTLKSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-9-7-14-12(15-11(9)16(3)4)17-6-5-13(2,19)10(18)8-17/h7,10,18-19H,5-6,8H2,1-4H3/t10-,13-/m0/s1.
What are the key properties of (3S,4S)-1-[4-(dimethylamino)-5-methylpyrimidin-2-yl]-4-methylpiperidine-3,4-diol?
(3S,4S)-1-[4-(dimethylamino)-5-methylpyrimidin-2-yl]-4-methylpiperidine-3,4-diol has a molecular weight of 266.34 g/mol, XLogP of 0.17, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-1-[4-(dimethylamino)-5-methylpyrimidin-2-yl]-4-methylpiperidine-3,4-diol is sourced from PubChem (CID 72877463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).