N,N,2-trimethyl-6-[(3S)-3-methyl-1-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]piperidin-3-yl]pyrimidin-4-amine

C26H33N5O — CID 125010389

IUPACN,N,2-trimethyl-6-[(3S)-3-methyl-1-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]piperidin-3-yl]pyrimidin-4-amine
SMILESCc1nc(N(C)C)cc([C@@]2(C)CCCN(Cc3cccc(OCc4ccccn4)c3)C2)n1
InChIInChI=1S/C26H33N5O/c1-20-28-24(16-25(29-20)30(3)4)26(2)12-8-14-31(19-26)17-21-9-7-11-23(15-21)32-18-22-10-5-6-13-27-22/h5-7,9-11,13,15-16H,8,12,14,17-19H2,1-4H3/t26-/m0/s1
InChIKeyVJBZBJSQRGPLPF-SANMLTNESA-N
MW431.58 g/mol
LogP4.38
Rot. Bonds7

About N,N,2-trimethyl-6-[(3S)-3-methyl-1-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]piperidin-3-yl]pyrimidin-4-amine

N,N,2-trimethyl-6-[(3S)-3-methyl-1-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]piperidin-3-yl]pyrimidin-4-amine (PubChem CID 125010389) has the molecular formula C26H33N5O and a molecular weight of 431.58 g/mol. Its IUPAC name is N,N,2-trimethyl-6-[(3S)-3-methyl-1-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]piperidin-3-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN,N,2-trimethyl-6-[(3S)-3-methyl-1-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]piperidin-3-yl]pyrimidin-4-amine
PubChem CID125010389
Molecular FormulaC26H33N5O
Molecular Weight431.58 g/mol
Exact Mass431.27
IUPAC NameN,N,2-trimethyl-6-[(3S)-3-methyl-1-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]piperidin-3-yl]pyrimidin-4-amine
SMILESCc1nc(N(C)C)cc([C@@]2(C)CCCN(Cc3cccc(OCc4ccccn4)c3)C2)n1
InChIInChI=1S/C26H33N5O/c1-20-28-24(16-25(29-20)30(3)4)26(2)12-8-14-31(19-26)17-21-9-7-11-23(15-21)32-18-22-10-5-6-13-27-22/h5-7,9-11,13,15-16H,8,12,14,17-19H2,1-4H3/t26-/m0/s1
InChIKeyVJBZBJSQRGPLPF-SANMLTNESA-N
XLogP4.38
TPSA54.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.58
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N,2-dimethyl-6-[3-methyl-1-[[2-(pyridin-2-ylmethoxy)phenyl]methyl]piperidin-3-yl]pyrimidin-4-amine
CID 110149671
2-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decane
CID 120906669
2-[[3-[[(3R)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]phenoxy]methyl]pyridine
CID 99960236
(5S)-3-methyl-7-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 95869955
2-[4-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]piperazin-1-yl]pyrimidine
CID 50972913
(2R)-2-(6-methyl-2-pyridinyl)-1-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]pyrrolidine-2-carboxamide
CID 124988221
2-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 126786698
8-[(3-methoxyphenyl)methyl]-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[4.5]decane
CID 97449576
[3-methyl-1-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]pyrrolidin-3-yl]methanamine
CID 120773051
2-[[3-[(4-piperidin-4-ylpiperidin-1-yl)methyl]phenoxy]methyl]pyridine
CID 146037998
(5S)-9-phenyl-2-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]-6-oxa-2,9-diazaspiro[4.5]decan-8-one
CID 125021048
(4aS,7aS)-4-methyl-6-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine
CID 97160029

Frequently Asked Questions

What is the IUPAC name of N,N,2-trimethyl-6-[(3S)-3-methyl-1-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]piperidin-3-yl]pyrimidin-4-amine?
The IUPAC name of N,N,2-trimethyl-6-[(3S)-3-methyl-1-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]piperidin-3-yl]pyrimidin-4-amine (CID 125010389) is N,N,2-trimethyl-6-[(3S)-3-methyl-1-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]piperidin-3-yl]pyrimidin-4-amine.
What is the SMILES notation for N,N,2-trimethyl-6-[(3S)-3-methyl-1-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]piperidin-3-yl]pyrimidin-4-amine?
The canonical SMILES for N,N,2-trimethyl-6-[(3S)-3-methyl-1-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]piperidin-3-yl]pyrimidin-4-amine is Cc1nc(N(C)C)cc([C@@]2(C)CCCN(Cc3cccc(OCc4ccccn4)c3)C2)n1.
What is the InChIKey of N,N,2-trimethyl-6-[(3S)-3-methyl-1-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]piperidin-3-yl]pyrimidin-4-amine?
The InChIKey is VJBZBJSQRGPLPF-SANMLTNESA-N. The full InChI is InChI=1S/C26H33N5O/c1-20-28-24(16-25(29-20)30(3)4)26(2)12-8-14-31(19-26)17-21-9-7-11-23(15-21)32-18-22-10-5-6-13-27-22/h5-7,9-11,13,15-16H,8,12,14,17-19H2,1-4H3/t26-/m0/s1.
What are the key properties of N,N,2-trimethyl-6-[(3S)-3-methyl-1-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]piperidin-3-yl]pyrimidin-4-amine?
N,N,2-trimethyl-6-[(3S)-3-methyl-1-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]piperidin-3-yl]pyrimidin-4-amine has a molecular weight of 431.58 g/mol, XLogP of 4.38, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,2-trimethyl-6-[(3S)-3-methyl-1-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]piperidin-3-yl]pyrimidin-4-amine is sourced from PubChem (CID 125010389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).