5-[[(3S,4R)-4-amino-3-methoxypiperidin-1-yl]methyl]-N-propylpyrimidin-2-amine

C14H25N5O — CID 56870741

IUPAC5-[[(3S,4R)-4-amino-3-methoxypiperidin-1-yl]methyl]-N-propylpyrimidin-2-amine
SMILESCCCNc1ncc(CN2CC[C@@H](N)[C@@H](OC)C2)cn1
InChIInChI=1S/C14H25N5O/c1-3-5-16-14-17-7-11(8-18-14)9-19-6-4-12(15)13(10-19)20-2/h7-8,12-13H,3-6,9-10,15H2,1-2H3,(H,16,17,18)/t12-,13+/m1/s1
InChIKeyQFYILHWSKIBNHL-OLZOCXBDSA-N
MW279.39 g/mol
LogP0.85
Rot. Bonds6

About 5-[[(3S,4R)-4-amino-3-methoxypiperidin-1-yl]methyl]-N-propylpyrimidin-2-amine

5-[[(3S,4R)-4-amino-3-methoxypiperidin-1-yl]methyl]-N-propylpyrimidin-2-amine (PubChem CID 56870741) has the molecular formula C14H25N5O and a molecular weight of 279.39 g/mol. Its IUPAC name is 5-[[(3S,4R)-4-amino-3-methoxypiperidin-1-yl]methyl]-N-propylpyrimidin-2-amine.

Molecular Properties

Compound Name5-[[(3S,4R)-4-amino-3-methoxypiperidin-1-yl]methyl]-N-propylpyrimidin-2-amine
PubChem CID56870741
Molecular FormulaC14H25N5O
Molecular Weight279.39 g/mol
Exact Mass279.21
IUPAC Name5-[[(3S,4R)-4-amino-3-methoxypiperidin-1-yl]methyl]-N-propylpyrimidin-2-amine
SMILESCCCNc1ncc(CN2CC[C@@H](N)[C@@H](OC)C2)cn1
InChIInChI=1S/C14H25N5O/c1-3-5-16-14-17-7-11(8-18-14)9-19-6-4-12(15)13(10-19)20-2/h7-8,12-13H,3-6,9-10,15H2,1-2H3,(H,16,17,18)/t12-,13+/m1/s1
InChIKeyQFYILHWSKIBNHL-OLZOCXBDSA-N
XLogP0.85
TPSA76.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(3S,4S)-4-methyl-1-[[2-(propylamino)pyrimidin-5-yl]methyl]piperidine-3,4-diol
CID 72866844
5-[[(3R)-4-methyl-3-phenylpiperazin-1-yl]methyl]-N-propylpyrimidin-2-amine
CID 99926346
5-[[(3S,4R)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]methyl]-N-propylpyrimidin-2-amine
CID 70765593
4-[(3R)-1-[[2-(propylamino)pyrimidin-5-yl]methyl]piperidin-3-yl]benzoic acid
CID 97187836
[4-methyl-5-[[1-[[2-(propylamino)pyrimidin-5-yl]methyl]piperidin-4-yl]methyl]-1,2,4-triazol-3-yl]methanol
CID 50953438
N-propyl-5-[[4-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methyl]pyrimidin-2-amine
CID 95873122
methyl (2R,4S)-4-hydroxy-1-[[2-(propylamino)pyrimidin-5-yl]methyl]piperidine-2-carboxylate
CID 50972892
6-[4-[[2-(propylamino)pyrimidin-5-yl]methyl]piperazin-1-yl]pyrimidine-2,4-diamine
CID 56715150
[1-[[2-(propylamino)pyrimidin-5-yl]methyl]azepan-2-yl]methanol
CID 77098097
5-chloro-4-(3,4-dimethoxypyrrolidin-1-yl)-N-propylpyrimidin-2-amine
CID 103542000
5-[[(2S)-2-[(3-fluorophenyl)methyl]morpholin-4-yl]methyl]-N-propylpyrimidin-2-amine
CID 95552056
4-methyl-1-[[6-(propylamino)-3-pyridinyl]methyl]piperidin-3-ol
CID 102966649

Frequently Asked Questions

What is the IUPAC name of 5-[[(3S,4R)-4-amino-3-methoxypiperidin-1-yl]methyl]-N-propylpyrimidin-2-amine?
The IUPAC name of 5-[[(3S,4R)-4-amino-3-methoxypiperidin-1-yl]methyl]-N-propylpyrimidin-2-amine (CID 56870741) is 5-[[(3S,4R)-4-amino-3-methoxypiperidin-1-yl]methyl]-N-propylpyrimidin-2-amine.
What is the SMILES notation for 5-[[(3S,4R)-4-amino-3-methoxypiperidin-1-yl]methyl]-N-propylpyrimidin-2-amine?
The canonical SMILES for 5-[[(3S,4R)-4-amino-3-methoxypiperidin-1-yl]methyl]-N-propylpyrimidin-2-amine is CCCNc1ncc(CN2CC[C@@H](N)[C@@H](OC)C2)cn1.
What is the InChIKey of 5-[[(3S,4R)-4-amino-3-methoxypiperidin-1-yl]methyl]-N-propylpyrimidin-2-amine?
The InChIKey is QFYILHWSKIBNHL-OLZOCXBDSA-N. The full InChI is InChI=1S/C14H25N5O/c1-3-5-16-14-17-7-11(8-18-14)9-19-6-4-12(15)13(10-19)20-2/h7-8,12-13H,3-6,9-10,15H2,1-2H3,(H,16,17,18)/t12-,13+/m1/s1.
What are the key properties of 5-[[(3S,4R)-4-amino-3-methoxypiperidin-1-yl]methyl]-N-propylpyrimidin-2-amine?
5-[[(3S,4R)-4-amino-3-methoxypiperidin-1-yl]methyl]-N-propylpyrimidin-2-amine has a molecular weight of 279.39 g/mol, XLogP of 0.85, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(3S,4R)-4-amino-3-methoxypiperidin-1-yl]methyl]-N-propylpyrimidin-2-amine is sourced from PubChem (CID 56870741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).