N-[1-[(4-bromophenyl)methyl]pyrrolidin-3-yl]-N-methyl-2-morpholin-4-ylpyrimidin-4-amine

C20H26BrN5O — CID 172892594

IUPACN-[1-[(4-bromophenyl)methyl]pyrrolidin-3-yl]-N-methyl-2-morpholin-4-ylpyrimidin-4-amine
SMILESCN(c1ccnc(N2CCOCC2)n1)C1CCN(Cc2ccc(Br)cc2)C1
InChIInChI=1S/C20H26BrN5O/c1-24(19-6-8-22-20(23-19)26-10-12-27-13-11-26)18-7-9-25(15-18)14-16-2-4-17(21)5-3-16/h2-6,8,18H,7,9-15H2,1H3
InChIKeyITARKMGJVCCBIW-UHFFFAOYSA-N
MW432.37 g/mol
LogP2.79
Rot. Bonds5

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

N-[1-[(4-bromophenyl)methyl]pyrrolidin-3-yl]-N-methyl-2-morpholin-4-ylpyrimidin-4-amine (PubChem CID 172892594) has the molecular formula C20H26BrN5O and a molecular weight of 432.37 g/mol. Its IUPAC name is N-[1-[(4-bromophenyl)methyl]pyrrolidin-3-yl]-N-methyl-2-morpholin-4-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-[(4-bromophenyl)methyl]pyrrolidin-3-yl]-N-methyl-2-morpholin-4-ylpyrimidin-4-amine
PubChem CID172892594
Molecular FormulaC20H26BrN5O
Molecular Weight432.37 g/mol
Exact Mass431.13
IUPAC NameN-[1-[(4-bromophenyl)methyl]pyrrolidin-3-yl]-N-methyl-2-morpholin-4-ylpyrimidin-4-amine
SMILESCN(c1ccnc(N2CCOCC2)n1)C1CCN(Cc2ccc(Br)cc2)C1
InChIInChI=1S/C20H26BrN5O/c1-24(19-6-8-22-20(23-19)26-10-12-27-13-11-26)18-7-9-25(15-18)14-16-2-4-17(21)5-3-16/h2-6,8,18H,7,9-15H2,1H3
InChIKeyITARKMGJVCCBIW-UHFFFAOYSA-N
XLogP2.79
TPSA44.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.37
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-[(3,5-dichlorophenyl)methyl]pyrrolidin-3-yl]-N-methyl-2-morpholin-4-ylpyrimidin-4-amine
CID 175650362
N-[1-[(3,5-difluorophenyl)methyl]pyrrolidin-3-yl]-N-methyl-2-morpholin-4-ylpyrimidin-4-amine
CID 172901800
N-[1-[(3,4-difluorophenyl)methyl]pyrrolidin-3-yl]-N-methyl-2-morpholin-4-ylpyrimidin-4-amine
CID 172901801
N-[1-[(5-bromofuran-2-yl)methyl]pyrrolidin-3-yl]-N-methyl-2-morpholin-4-ylpyrimidin-4-amine
CID 172903374
N-[1-[(3-chlorophenyl)methyl]pyrrolidin-3-yl]-N-methyl-2-morpholin-4-ylpyrimidin-4-amine
CID 172902048
N-methyl-2-morpholin-4-yl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]pyrimidin-4-amine
CID 172902281
3-[[3-[methyl-(2-morpholin-4-ylpyrimidin-4-yl)amino]pyrrolidin-1-yl]methyl]benzonitrile
CID 172903109
N-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-N-methyl-2-morpholin-4-ylpyrimidin-4-amine
CID 172902400
N-methyl-2-morpholin-4-yl-N-[1-(1,3-thiazol-4-ylmethyl)pyrrolidin-3-yl]pyrimidin-4-amine
CID 172902619
N-[1-[(4-bromophenyl)methyl]piperidin-3-yl]-N-methyl-4-morpholin-4-ylpyrimidin-2-amine
CID 171998821
4-N-[1-[(4-bromophenyl)methyl]piperidin-3-yl]-2-N,2-N,4-N-trimethylpyrimidine-2,4-diamine
CID 172893269
N-[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-yl]-N-methyl-2-morpholin-4-ylpyrimidin-4-amine
CID 172902455

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-bromophenyl)methyl]pyrrolidin-3-yl]-N-methyl-2-morpholin-4-ylpyrimidin-4-amine?
The IUPAC name of N-[1-[(4-bromophenyl)methyl]pyrrolidin-3-yl]-N-methyl-2-morpholin-4-ylpyrimidin-4-amine (CID 172892594) is N-[1-[(4-bromophenyl)methyl]pyrrolidin-3-yl]-N-methyl-2-morpholin-4-ylpyrimidin-4-amine.
What is the SMILES notation for N-[1-[(4-bromophenyl)methyl]pyrrolidin-3-yl]-N-methyl-2-morpholin-4-ylpyrimidin-4-amine?
The canonical SMILES for N-[1-[(4-bromophenyl)methyl]pyrrolidin-3-yl]-N-methyl-2-morpholin-4-ylpyrimidin-4-amine is CN(c1ccnc(N2CCOCC2)n1)C1CCN(Cc2ccc(Br)cc2)C1.
What is the InChIKey of N-[1-[(4-bromophenyl)methyl]pyrrolidin-3-yl]-N-methyl-2-morpholin-4-ylpyrimidin-4-amine?
The InChIKey is ITARKMGJVCCBIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26BrN5O/c1-24(19-6-8-22-20(23-19)26-10-12-27-13-11-26)18-7-9-25(15-18)14-16-2-4-17(21)5-3-16/h2-6,8,18H,7,9-15H2,1H3.
What are the key properties of N-[1-[(4-bromophenyl)methyl]pyrrolidin-3-yl]-N-methyl-2-morpholin-4-ylpyrimidin-4-amine?
N-[1-[(4-bromophenyl)methyl]pyrrolidin-3-yl]-N-methyl-2-morpholin-4-ylpyrimidin-4-amine has a molecular weight of 432.37 g/mol, XLogP of 2.79, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-bromophenyl)methyl]pyrrolidin-3-yl]-N-methyl-2-morpholin-4-ylpyrimidin-4-amine is sourced from PubChem (CID 172892594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).