(3S,4S)-4-methyl-1-[[2-(propylamino)pyrimidin-5-yl]methyl]piperidine-3,4-diol

C14H24N4O2 — CID 72866844

IUPAC(3S,4S)-4-methyl-1-[[2-(propylamino)pyrimidin-5-yl]methyl]piperidine-3,4-diol
SMILESCCCNc1ncc(CN2CC[C@](C)(O)[C@@H](O)C2)cn1
InChIInChI=1S/C14H24N4O2/c1-3-5-15-13-16-7-11(8-17-13)9-18-6-4-14(2,20)12(19)10-18/h7-8,12,19-20H,3-6,9-10H2,1-2H3,(H,15,16,17)/t12-,14-/m0/s1
InChIKeyFITIAPDBTXEQAZ-JSGCOSHPSA-N
MW280.37 g/mol
LogP0.62
Rot. Bonds5

About (3S,4S)-4-methyl-1-[[2-(propylamino)pyrimidin-5-yl]methyl]piperidine-3,4-diol

(3S,4S)-4-methyl-1-[[2-(propylamino)pyrimidin-5-yl]methyl]piperidine-3,4-diol (PubChem CID 72866844) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is (3S,4S)-4-methyl-1-[[2-(propylamino)pyrimidin-5-yl]methyl]piperidine-3,4-diol.

Molecular Properties

Compound Name(3S,4S)-4-methyl-1-[[2-(propylamino)pyrimidin-5-yl]methyl]piperidine-3,4-diol
PubChem CID72866844
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Name(3S,4S)-4-methyl-1-[[2-(propylamino)pyrimidin-5-yl]methyl]piperidine-3,4-diol
SMILESCCCNc1ncc(CN2CC[C@](C)(O)[C@@H](O)C2)cn1
InChIInChI=1S/C14H24N4O2/c1-3-5-15-13-16-7-11(8-17-13)9-18-6-4-14(2,20)12(19)10-18/h7-8,12,19-20H,3-6,9-10H2,1-2H3,(H,15,16,17)/t12-,14-/m0/s1
InChIKeyFITIAPDBTXEQAZ-JSGCOSHPSA-N
XLogP0.62
TPSA81.51 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 50.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (3S,4S)-4-methyl-1-[[2-(propylamino)pyrimidin-5-yl]methyl]piperidine-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)-4-methyl-1-[[2-(propylamino)pyrimidin-5-yl]methyl]piperidine-3,4-diol?
The IUPAC name of (3S,4S)-4-methyl-1-[[2-(propylamino)pyrimidin-5-yl]methyl]piperidine-3,4-diol (CID 72866844) is (3S,4S)-4-methyl-1-[[2-(propylamino)pyrimidin-5-yl]methyl]piperidine-3,4-diol.
What is the SMILES notation for (3S,4S)-4-methyl-1-[[2-(propylamino)pyrimidin-5-yl]methyl]piperidine-3,4-diol?
The canonical SMILES for (3S,4S)-4-methyl-1-[[2-(propylamino)pyrimidin-5-yl]methyl]piperidine-3,4-diol is CCCNc1ncc(CN2CC[C@](C)(O)[C@@H](O)C2)cn1.
What is the InChIKey of (3S,4S)-4-methyl-1-[[2-(propylamino)pyrimidin-5-yl]methyl]piperidine-3,4-diol?
The InChIKey is FITIAPDBTXEQAZ-JSGCOSHPSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-3-5-15-13-16-7-11(8-17-13)9-18-6-4-14(2,20)12(19)10-18/h7-8,12,19-20H,3-6,9-10H2,1-2H3,(H,15,16,17)/t12-,14-/m0/s1.
What are the key properties of (3S,4S)-4-methyl-1-[[2-(propylamino)pyrimidin-5-yl]methyl]piperidine-3,4-diol?
(3S,4S)-4-methyl-1-[[2-(propylamino)pyrimidin-5-yl]methyl]piperidine-3,4-diol has a molecular weight of 280.37 g/mol, XLogP of 0.62, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-methyl-1-[[2-(propylamino)pyrimidin-5-yl]methyl]piperidine-3,4-diol is sourced from PubChem (CID 72866844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).