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

C25H31N5O — CID 110149671

IUPACN,2-dimethyl-6-[3-methyl-1-[[2-(pyridin-2-ylmethoxy)phenyl]methyl]piperidin-3-yl]pyrimidin-4-amine
SMILESCNc1cc(C2(C)CCCN(Cc3ccccc3OCc3ccccn3)C2)nc(C)n1
InChIInChI=1S/C25H31N5O/c1-19-28-23(15-24(26-3)29-19)25(2)12-8-14-30(18-25)16-20-9-4-5-11-22(20)31-17-21-10-6-7-13-27-21/h4-7,9-11,13,15H,8,12,14,16-18H2,1-3H3,(H,26,28,29)
InChIKeyHHCWYEIMBAKLHS-UHFFFAOYSA-N
MW417.56 g/mol
LogP4.35
Rot. Bonds7

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

N,2-dimethyl-6-[3-methyl-1-[[2-(pyridin-2-ylmethoxy)phenyl]methyl]piperidin-3-yl]pyrimidin-4-amine (PubChem CID 110149671) has the molecular formula C25H31N5O and a molecular weight of 417.56 g/mol. Its IUPAC name is N,2-dimethyl-6-[3-methyl-1-[[2-(pyridin-2-ylmethoxy)phenyl]methyl]piperidin-3-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN,2-dimethyl-6-[3-methyl-1-[[2-(pyridin-2-ylmethoxy)phenyl]methyl]piperidin-3-yl]pyrimidin-4-amine
PubChem CID110149671
Molecular FormulaC25H31N5O
Molecular Weight417.56 g/mol
Exact Mass417.25
IUPAC NameN,2-dimethyl-6-[3-methyl-1-[[2-(pyridin-2-ylmethoxy)phenyl]methyl]piperidin-3-yl]pyrimidin-4-amine
SMILESCNc1cc(C2(C)CCCN(Cc3ccccc3OCc3ccccn3)C2)nc(C)n1
InChIInChI=1S/C25H31N5O/c1-19-28-23(15-24(26-3)29-19)25(2)12-8-14-30(18-25)16-20-9-4-5-11-22(20)31-17-21-10-6-7-13-27-21/h4-7,9-11,13,15H,8,12,14,16-18H2,1-3H3,(H,26,28,29)
InChIKeyHHCWYEIMBAKLHS-UHFFFAOYSA-N
XLogP4.35
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.56
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N,2-dimethyl-6-[3-methyl-1-[[2-(pyridin-2-ylmethoxy)phenyl]methyl]piperidin-3-yl]pyrimidin-4-amine with MolForge

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Launch Full Analysis

Related Compounds

N-methyl-3-pyridin-2-yl-1-[[2-(pyridin-2-ylmethoxy)phenyl]methyl]piperidine-3-carboxamide
CID 110149669
N,N,2-trimethyl-6-[(3S)-3-methyl-1-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]piperidin-3-yl]pyrimidin-4-amine
CID 125010389
3-pyridin-2-yl-1-[[2-(pyridin-2-ylmethoxy)phenyl]methyl]piperidine-3-carboxamide
CID 110149670
[(3R,4R)-4-phenyl-1-[[2-(pyridin-2-ylmethoxy)phenyl]methyl]pyrrolidin-3-yl]methanamine
CID 120769592
1-[2-[2-[(3S)-3-methyl-3-[2-methyl-6-(methylamino)pyrimidin-4-yl]piperidine-1-carbonyl]phenoxy]ethyl]pyrrolidin-2-one
CID 124990254
[1-[[5-bromo-2-(pyridin-2-ylmethoxy)phenyl]methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120780454
3-methyl-1-(pyridin-2-ylmethyl)piperidin-3-ol
CID 115873664
3-(4-chlorophenyl)-7-[[2-(pyridin-2-ylmethoxy)phenyl]methyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 110150171
1-[[2-(2-methoxyphenyl)phenyl]methyl]-N-methyl-3-pyridin-2-ylpiperidine-3-carboxamide
CID 110149805
4-[[5-methoxy-2-(pyridin-2-ylmethoxy)phenyl]methyl]-1,4-thiazepane
CID 75451679
[(3S)-3-methyl-3-[2-methyl-6-(methylamino)pyrimidin-4-yl]piperidin-1-yl]-[3-(2-morpholin-4-ylethoxy)phenyl]methanone
CID 124941595
4-N-[(2-methoxyphenyl)methyl]-6-N,2-dimethylpyrimidine-4,6-diamine
CID 80770615

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-6-[3-methyl-1-[[2-(pyridin-2-ylmethoxy)phenyl]methyl]piperidin-3-yl]pyrimidin-4-amine?
The IUPAC name of N,2-dimethyl-6-[3-methyl-1-[[2-(pyridin-2-ylmethoxy)phenyl]methyl]piperidin-3-yl]pyrimidin-4-amine (CID 110149671) is N,2-dimethyl-6-[3-methyl-1-[[2-(pyridin-2-ylmethoxy)phenyl]methyl]piperidin-3-yl]pyrimidin-4-amine.
What is the SMILES notation for N,2-dimethyl-6-[3-methyl-1-[[2-(pyridin-2-ylmethoxy)phenyl]methyl]piperidin-3-yl]pyrimidin-4-amine?
The canonical SMILES for N,2-dimethyl-6-[3-methyl-1-[[2-(pyridin-2-ylmethoxy)phenyl]methyl]piperidin-3-yl]pyrimidin-4-amine is CNc1cc(C2(C)CCCN(Cc3ccccc3OCc3ccccn3)C2)nc(C)n1.
What is the InChIKey of N,2-dimethyl-6-[3-methyl-1-[[2-(pyridin-2-ylmethoxy)phenyl]methyl]piperidin-3-yl]pyrimidin-4-amine?
The InChIKey is HHCWYEIMBAKLHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5O/c1-19-28-23(15-24(26-3)29-19)25(2)12-8-14-30(18-25)16-20-9-4-5-11-22(20)31-17-21-10-6-7-13-27-21/h4-7,9-11,13,15H,8,12,14,16-18H2,1-3H3,(H,26,28,29).
What are the key properties of N,2-dimethyl-6-[3-methyl-1-[[2-(pyridin-2-ylmethoxy)phenyl]methyl]piperidin-3-yl]pyrimidin-4-amine?
N,2-dimethyl-6-[3-methyl-1-[[2-(pyridin-2-ylmethoxy)phenyl]methyl]piperidin-3-yl]pyrimidin-4-amine has a molecular weight of 417.56 g/mol, XLogP of 4.35, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-6-[3-methyl-1-[[2-(pyridin-2-ylmethoxy)phenyl]methyl]piperidin-3-yl]pyrimidin-4-amine is sourced from PubChem (CID 110149671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).