6-[[(2R,4S)-4-[(6-amino-4-methyl-2-pyridinyl)oxymethyl]pyrrolidin-2-yl]methoxymethyl]-4-methylpyridin-2-amine

C19H27N5O2 — CID 86767079

IUPAC6-[[(2R,4S)-4-[(6-amino-4-methyl-2-pyridinyl)oxymethyl]pyrrolidin-2-yl]methoxymethyl]-4-methylpyridin-2-amine
SMILESCc1cc(N)nc(COC[C@H]2C[C@H](COc3cc(C)cc(N)n3)CN2)c1
InChIInChI=1S/C19H27N5O2/c1-12-3-16(23-17(20)4-12)11-25-10-15-7-14(8-22-15)9-26-19-6-13(2)5-18(21)24-19/h3-6,14-15,22H,7-11H2,1-2H3,(H2,20,23)(H2,21,24)/t14-,15+/m0/s1
InChIKeyYFPMURIHASNWOW-LSDHHAIUSA-N
MW357.46 g/mol
LogP1.83
Rot. Bonds7

About 6-[[(2R,4S)-4-[(6-amino-4-methyl-2-pyridinyl)oxymethyl]pyrrolidin-2-yl]methoxymethyl]-4-methylpyridin-2-amine

6-[[(2R,4S)-4-[(6-amino-4-methyl-2-pyridinyl)oxymethyl]pyrrolidin-2-yl]methoxymethyl]-4-methylpyridin-2-amine (PubChem CID 86767079) has the molecular formula C19H27N5O2 and a molecular weight of 357.46 g/mol. Its IUPAC name is 6-[[(2R,4S)-4-[(6-amino-4-methyl-2-pyridinyl)oxymethyl]pyrrolidin-2-yl]methoxymethyl]-4-methylpyridin-2-amine.

Molecular Properties

Compound Name6-[[(2R,4S)-4-[(6-amino-4-methyl-2-pyridinyl)oxymethyl]pyrrolidin-2-yl]methoxymethyl]-4-methylpyridin-2-amine
PubChem CID86767079
Molecular FormulaC19H27N5O2
Molecular Weight357.46 g/mol
Exact Mass357.22
IUPAC Name6-[[(2R,4S)-4-[(6-amino-4-methyl-2-pyridinyl)oxymethyl]pyrrolidin-2-yl]methoxymethyl]-4-methylpyridin-2-amine
SMILESCc1cc(N)nc(COC[C@H]2C[C@H](COc3cc(C)cc(N)n3)CN2)c1
InChIInChI=1S/C19H27N5O2/c1-12-3-16(23-17(20)4-12)11-25-10-15-7-14(8-22-15)9-26-19-6-13(2)5-18(21)24-19/h3-6,14-15,22H,7-11H2,1-2H3,(H2,20,23)(H2,21,24)/t14-,15+/m0/s1
InChIKeyYFPMURIHASNWOW-LSDHHAIUSA-N
XLogP1.83
TPSA108.31 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[[(2R,4S)-4-[(6-amino-4-methyl-2-pyridinyl)oxymethyl]pyrrolidin-2-yl]methoxymethyl]-4-methylpyridin-2-amine?
The IUPAC name of 6-[[(2R,4S)-4-[(6-amino-4-methyl-2-pyridinyl)oxymethyl]pyrrolidin-2-yl]methoxymethyl]-4-methylpyridin-2-amine (CID 86767079) is 6-[[(2R,4S)-4-[(6-amino-4-methyl-2-pyridinyl)oxymethyl]pyrrolidin-2-yl]methoxymethyl]-4-methylpyridin-2-amine.
What is the SMILES notation for 6-[[(2R,4S)-4-[(6-amino-4-methyl-2-pyridinyl)oxymethyl]pyrrolidin-2-yl]methoxymethyl]-4-methylpyridin-2-amine?
The canonical SMILES for 6-[[(2R,4S)-4-[(6-amino-4-methyl-2-pyridinyl)oxymethyl]pyrrolidin-2-yl]methoxymethyl]-4-methylpyridin-2-amine is Cc1cc(N)nc(COC[C@H]2C[C@H](COc3cc(C)cc(N)n3)CN2)c1.
What is the InChIKey of 6-[[(2R,4S)-4-[(6-amino-4-methyl-2-pyridinyl)oxymethyl]pyrrolidin-2-yl]methoxymethyl]-4-methylpyridin-2-amine?
The InChIKey is YFPMURIHASNWOW-LSDHHAIUSA-N. The full InChI is InChI=1S/C19H27N5O2/c1-12-3-16(23-17(20)4-12)11-25-10-15-7-14(8-22-15)9-26-19-6-13(2)5-18(21)24-19/h3-6,14-15,22H,7-11H2,1-2H3,(H2,20,23)(H2,21,24)/t14-,15+/m0/s1.
What are the key properties of 6-[[(2R,4S)-4-[(6-amino-4-methyl-2-pyridinyl)oxymethyl]pyrrolidin-2-yl]methoxymethyl]-4-methylpyridin-2-amine?
6-[[(2R,4S)-4-[(6-amino-4-methyl-2-pyridinyl)oxymethyl]pyrrolidin-2-yl]methoxymethyl]-4-methylpyridin-2-amine has a molecular weight of 357.46 g/mol, XLogP of 1.83, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(2R,4S)-4-[(6-amino-4-methyl-2-pyridinyl)oxymethyl]pyrrolidin-2-yl]methoxymethyl]-4-methylpyridin-2-amine is sourced from PubChem (CID 86767079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).