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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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).