methyl (2R,4S)-4-hydroxy-1-[[2-(propylamino)pyrimidin-5-yl]methyl]piperidine-2-carboxylate

C15H24N4O3 — CID 50972892

IUPACmethyl (2R,4S)-4-hydroxy-1-[[2-(propylamino)pyrimidin-5-yl]methyl]piperidine-2-carboxylate
SMILESCCCNc1ncc(CN2CC[C@H](O)C[C@@H]2C(=O)OC)cn1
InChIInChI=1S/C15H24N4O3/c1-3-5-16-15-17-8-11(9-18-15)10-19-6-4-12(20)7-13(19)14(21)22-2/h8-9,12-13,20H,3-7,10H2,1-2H3,(H,16,17,18)/t12-,13+/m0/s1
InChIKeyZKUHAHOLIIOIOR-QWHCGFSZSA-N
MW308.38 g/mol
LogP0.80
Rot. Bonds6

About methyl (2R,4S)-4-hydroxy-1-[[2-(propylamino)pyrimidin-5-yl]methyl]piperidine-2-carboxylate

methyl (2R,4S)-4-hydroxy-1-[[2-(propylamino)pyrimidin-5-yl]methyl]piperidine-2-carboxylate (PubChem CID 50972892) has the molecular formula C15H24N4O3 and a molecular weight of 308.38 g/mol. Its IUPAC name is methyl (2R,4S)-4-hydroxy-1-[[2-(propylamino)pyrimidin-5-yl]methyl]piperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2R,4S)-4-hydroxy-1-[[2-(propylamino)pyrimidin-5-yl]methyl]piperidine-2-carboxylate
PubChem CID50972892
Molecular FormulaC15H24N4O3
Molecular Weight308.38 g/mol
Exact Mass308.18
IUPAC Namemethyl (2R,4S)-4-hydroxy-1-[[2-(propylamino)pyrimidin-5-yl]methyl]piperidine-2-carboxylate
SMILESCCCNc1ncc(CN2CC[C@H](O)C[C@@H]2C(=O)OC)cn1
InChIInChI=1S/C15H24N4O3/c1-3-5-16-15-17-8-11(9-18-15)10-19-6-4-12(20)7-13(19)14(21)22-2/h8-9,12-13,20H,3-7,10H2,1-2H3,(H,16,17,18)/t12-,13+/m0/s1
InChIKeyZKUHAHOLIIOIOR-QWHCGFSZSA-N
XLogP0.80
TPSA87.58 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze methyl (2R,4S)-4-hydroxy-1-[[2-(propylamino)pyrimidin-5-yl]methyl]piperidine-2-carboxylate with MolForge

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

Launch Full Analysis

Related Compounds

methyl (2S,4R)-1-[(3-chlorophenyl)methyl]-4-hydroxypiperidine-2-carboxylate
CID 133118121
[1-[[2-(propylamino)pyrimidin-5-yl]methyl]azepan-2-yl]methanol
CID 77098097
(2S,4R)-1-[[2-(benzylamino)pyrimidin-5-yl]methyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 131912339
1-[2-(propylamino)pyrimidin-5-yl]sulfonylpiperidin-4-ol
CID 62142988
methyl (2R,4S)-4-hydroxy-1-[(4-methoxynaphthalen-1-yl)methyl]piperidine-2-carboxylate
CID 50966992
methyl (2S)-1-benzylazetidine-2-carboxylate
CID 12727480
methyl (2R)-1-benzylazetidine-2-carboxylate
CID 10976617
4-[(4-hydroxy-2-methoxycarbonylpyrrolidin-1-yl)methyl]benzoic acid
CID 115971503
(3S,4S)-4-methyl-1-[[2-(propylamino)pyrimidin-5-yl]methyl]piperidine-3,4-diol
CID 72866844
5-[[(3S,4R)-4-amino-3-methoxypiperidin-1-yl]methyl]-N-propylpyrimidin-2-amine
CID 56870741
methyl (2S,4R)-1-[[2,4-dimethyl-5-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-4-hydroxypiperidine-2-carboxylate
CID 133114014
methyl 1-[[2-(propylamino)-3-pyridinyl]methyl]pyrrolidine-2-carboxylate
CID 62471191

Frequently Asked Questions

What is the IUPAC name of methyl (2R,4S)-4-hydroxy-1-[[2-(propylamino)pyrimidin-5-yl]methyl]piperidine-2-carboxylate?
The IUPAC name of methyl (2R,4S)-4-hydroxy-1-[[2-(propylamino)pyrimidin-5-yl]methyl]piperidine-2-carboxylate (CID 50972892) is methyl (2R,4S)-4-hydroxy-1-[[2-(propylamino)pyrimidin-5-yl]methyl]piperidine-2-carboxylate.
What is the SMILES notation for methyl (2R,4S)-4-hydroxy-1-[[2-(propylamino)pyrimidin-5-yl]methyl]piperidine-2-carboxylate?
The canonical SMILES for methyl (2R,4S)-4-hydroxy-1-[[2-(propylamino)pyrimidin-5-yl]methyl]piperidine-2-carboxylate is CCCNc1ncc(CN2CC[C@H](O)C[C@@H]2C(=O)OC)cn1.
What is the InChIKey of methyl (2R,4S)-4-hydroxy-1-[[2-(propylamino)pyrimidin-5-yl]methyl]piperidine-2-carboxylate?
The InChIKey is ZKUHAHOLIIOIOR-QWHCGFSZSA-N. The full InChI is InChI=1S/C15H24N4O3/c1-3-5-16-15-17-8-11(9-18-15)10-19-6-4-12(20)7-13(19)14(21)22-2/h8-9,12-13,20H,3-7,10H2,1-2H3,(H,16,17,18)/t12-,13+/m0/s1.
What are the key properties of methyl (2R,4S)-4-hydroxy-1-[[2-(propylamino)pyrimidin-5-yl]methyl]piperidine-2-carboxylate?
methyl (2R,4S)-4-hydroxy-1-[[2-(propylamino)pyrimidin-5-yl]methyl]piperidine-2-carboxylate has a molecular weight of 308.38 g/mol, XLogP of 0.80, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R,4S)-4-hydroxy-1-[[2-(propylamino)pyrimidin-5-yl]methyl]piperidine-2-carboxylate is sourced from PubChem (CID 50972892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).