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

C19H24BrN5O — CID 171996210

IUPACN-[1-[(3-bromophenyl)methyl]pyrrolidin-3-yl]-4-morpholin-4-ylpyrimidin-2-amine
SMILESBrc1cccc(CN2CCC(Nc3nccc(N4CCOCC4)n3)C2)c1
InChIInChI=1S/C19H24BrN5O/c20-16-3-1-2-15(12-16)13-24-7-5-17(14-24)22-19-21-6-4-18(23-19)25-8-10-26-11-9-25/h1-4,6,12,17H,5,7-11,13-14H2,(H,21,22,23)
InChIKeyPGYANSWNWRVNAE-UHFFFAOYSA-N
MW418.34 g/mol
LogP2.76
Rot. Bonds5

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

N-[1-[(3-bromophenyl)methyl]pyrrolidin-3-yl]-4-morpholin-4-ylpyrimidin-2-amine (PubChem CID 171996210) has the molecular formula C19H24BrN5O and a molecular weight of 418.34 g/mol. Its IUPAC name is N-[1-[(3-bromophenyl)methyl]pyrrolidin-3-yl]-4-morpholin-4-ylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[1-[(3-bromophenyl)methyl]pyrrolidin-3-yl]-4-morpholin-4-ylpyrimidin-2-amine
PubChem CID171996210
Molecular FormulaC19H24BrN5O
Molecular Weight418.34 g/mol
Exact Mass417.12
IUPAC NameN-[1-[(3-bromophenyl)methyl]pyrrolidin-3-yl]-4-morpholin-4-ylpyrimidin-2-amine
SMILESBrc1cccc(CN2CCC(Nc3nccc(N4CCOCC4)n3)C2)c1
InChIInChI=1S/C19H24BrN5O/c20-16-3-1-2-15(12-16)13-24-7-5-17(14-24)22-19-21-6-4-18(23-19)25-8-10-26-11-9-25/h1-4,6,12,17H,5,7-11,13-14H2,(H,21,22,23)
InChIKeyPGYANSWNWRVNAE-UHFFFAOYSA-N
XLogP2.76
TPSA53.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.34
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]-4-morpholin-4-ylpyrimidin-2-amine
CID 171995172
4-(azepan-1-yl)-N-[(3R)-1-benzylpyrrolidin-3-yl]pyrimidin-2-amine
CID 66903517
3-[[3-[[4-(azepan-1-yl)pyrimidin-2-yl]amino]piperidin-1-yl]methyl]phenol
CID 23086371
N-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-yl]-4-morpholin-4-ylpyrimidin-2-amine
CID 171994648
3-[[4-[[4-(azepan-1-yl)pyrimidin-2-yl]amino]piperidin-1-yl]methyl]phenol
CID 23086074
4-morpholin-4-yl-N-[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-3-yl]pyrimidin-2-amine
CID 171994884
4-(4-benzylpiperazin-1-yl)-N-cyclopropylpyrimidin-2-amine
CID 112882378
N-[1-(2-cyclopropylpyrimidin-4-yl)pyrrolidin-3-yl]-4-morpholin-4-ylpyrimidin-2-amine
CID 171996646
3-[[3-[[4-(azepan-1-yl)pyrimidin-2-yl]amino]azetidin-1-yl]methyl]benzonitrile
CID 66904531
4-morpholin-4-yl-N-pyrrolidin-3-ylpyrimidin-2-amine
CID 171340440
4-(azepan-1-yl)-N-[1-[[3,4-bis(phenylmethoxy)phenyl]methyl]piperidin-4-yl]pyrimidin-2-amine
CID 66902816
4-[6-[4-[(3-bromophenyl)methyl]piperazin-1-yl]-2-methylpyrimidin-4-yl]morpholine
CID 154883066

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3-bromophenyl)methyl]pyrrolidin-3-yl]-4-morpholin-4-ylpyrimidin-2-amine?
The IUPAC name of N-[1-[(3-bromophenyl)methyl]pyrrolidin-3-yl]-4-morpholin-4-ylpyrimidin-2-amine (CID 171996210) is N-[1-[(3-bromophenyl)methyl]pyrrolidin-3-yl]-4-morpholin-4-ylpyrimidin-2-amine.
What is the SMILES notation for N-[1-[(3-bromophenyl)methyl]pyrrolidin-3-yl]-4-morpholin-4-ylpyrimidin-2-amine?
The canonical SMILES for N-[1-[(3-bromophenyl)methyl]pyrrolidin-3-yl]-4-morpholin-4-ylpyrimidin-2-amine is Brc1cccc(CN2CCC(Nc3nccc(N4CCOCC4)n3)C2)c1.
What is the InChIKey of N-[1-[(3-bromophenyl)methyl]pyrrolidin-3-yl]-4-morpholin-4-ylpyrimidin-2-amine?
The InChIKey is PGYANSWNWRVNAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24BrN5O/c20-16-3-1-2-15(12-16)13-24-7-5-17(14-24)22-19-21-6-4-18(23-19)25-8-10-26-11-9-25/h1-4,6,12,17H,5,7-11,13-14H2,(H,21,22,23).
What are the key properties of N-[1-[(3-bromophenyl)methyl]pyrrolidin-3-yl]-4-morpholin-4-ylpyrimidin-2-amine?
N-[1-[(3-bromophenyl)methyl]pyrrolidin-3-yl]-4-morpholin-4-ylpyrimidin-2-amine has a molecular weight of 418.34 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3-bromophenyl)methyl]pyrrolidin-3-yl]-4-morpholin-4-ylpyrimidin-2-amine is sourced from PubChem (CID 171996210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).