N-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-N-methyl-4-morpholin-4-ylpyrimidin-2-amine

C22H31N5O2 — CID 171996260

IUPACN-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-N-methyl-4-morpholin-4-ylpyrimidin-2-amine
SMILESCOc1cccc(CN2CCCC(N(C)c3nccc(N4CCOCC4)n3)C2)c1
InChIInChI=1S/C22H31N5O2/c1-25(22-23-9-8-21(24-22)27-11-13-29-14-12-27)19-6-4-10-26(17-19)16-18-5-3-7-20(15-18)28-2/h3,5,7-9,15,19H,4,6,10-14,16-17H2,1-2H3
InChIKeyVWWDRBZDKBDZKO-UHFFFAOYSA-N
MW397.52 g/mol
LogP2.42
Rot. Bonds6

About N-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-N-methyl-4-morpholin-4-ylpyrimidin-2-amine

N-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-N-methyl-4-morpholin-4-ylpyrimidin-2-amine (PubChem CID 171996260) has the molecular formula C22H31N5O2 and a molecular weight of 397.52 g/mol. Its IUPAC name is N-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-N-methyl-4-morpholin-4-ylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-N-methyl-4-morpholin-4-ylpyrimidin-2-amine
PubChem CID171996260
Molecular FormulaC22H31N5O2
Molecular Weight397.52 g/mol
Exact Mass397.25
IUPAC NameN-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-N-methyl-4-morpholin-4-ylpyrimidin-2-amine
SMILESCOc1cccc(CN2CCCC(N(C)c3nccc(N4CCOCC4)n3)C2)c1
InChIInChI=1S/C22H31N5O2/c1-25(22-23-9-8-21(24-22)27-11-13-29-14-12-27)19-6-4-10-26(17-19)16-18-5-3-7-20(15-18)28-2/h3,5,7-9,15,19H,4,6,10-14,16-17H2,1-2H3
InChIKeyVWWDRBZDKBDZKO-UHFFFAOYSA-N
XLogP2.42
TPSA53.96 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1-[(4-bromophenyl)methyl]piperidin-3-yl]-N-methyl-4-morpholin-4-ylpyrimidin-2-amine
CID 171998821
N-[1-[(2-bromophenyl)methyl]piperidin-3-yl]-N-methyl-4-morpholin-4-ylpyrimidin-2-amine
CID 171998822
N-methyl-N-[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]-4-morpholin-4-ylpyrimidin-2-amine
CID 171995870
N-methyl-N-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]-4-morpholin-4-ylpyrimidin-2-amine
CID 172881742
N-[1-[(5-bromo-2-pyridinyl)methyl]piperidin-3-yl]-N-methyl-4-morpholin-4-ylpyrimidin-2-amine
CID 172881656
2-N,4-N,4-N-trimethyl-2-N-[1-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-3-yl]pyrimidine-2,4-diamine
CID 172892048
N-[1-[[3-(difluoromethoxy)phenyl]methyl]piperidin-3-yl]-N,4-dimethylpyrimidin-2-amine
CID 172882405
4-methoxy-N-methyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]pyrimidin-2-amine
CID 171998710
N-[1-[(2-methoxy-4-pyridinyl)methyl]piperidin-3-yl]-N-methylpyrimidin-2-amine
CID 171995780
N-[1-(5-ethylpyrimidin-2-yl)piperidin-3-yl]-N-methyl-4-morpholin-4-ylpyrimidin-2-amine
CID 171993904
N-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-N-methylcyclopropanesulfonamide
CID 163346524
4-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-2-pyrrolidin-1-ylpyrimidine
CID 154580901

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-N-methyl-4-morpholin-4-ylpyrimidin-2-amine?
The IUPAC name of N-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-N-methyl-4-morpholin-4-ylpyrimidin-2-amine (CID 171996260) is N-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-N-methyl-4-morpholin-4-ylpyrimidin-2-amine.
What is the SMILES notation for N-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-N-methyl-4-morpholin-4-ylpyrimidin-2-amine?
The canonical SMILES for N-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-N-methyl-4-morpholin-4-ylpyrimidin-2-amine is COc1cccc(CN2CCCC(N(C)c3nccc(N4CCOCC4)n3)C2)c1.
What is the InChIKey of N-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-N-methyl-4-morpholin-4-ylpyrimidin-2-amine?
The InChIKey is VWWDRBZDKBDZKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N5O2/c1-25(22-23-9-8-21(24-22)27-11-13-29-14-12-27)19-6-4-10-26(17-19)16-18-5-3-7-20(15-18)28-2/h3,5,7-9,15,19H,4,6,10-14,16-17H2,1-2H3.
What are the key properties of N-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-N-methyl-4-morpholin-4-ylpyrimidin-2-amine?
N-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-N-methyl-4-morpholin-4-ylpyrimidin-2-amine has a molecular weight of 397.52 g/mol, XLogP of 2.42, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-N-methyl-4-morpholin-4-ylpyrimidin-2-amine is sourced from PubChem (CID 171996260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).