N-(2-bromophenyl)-4-phenyl-6-pyrrolidin-1-ylpyrimidin-2-amine

C20H19BrN4 — CID 112934190

IUPACN-(2-bromophenyl)-4-phenyl-6-pyrrolidin-1-ylpyrimidin-2-amine
SMILESBrc1ccccc1Nc1nc(-c2ccccc2)cc(N2CCCC2)n1
InChIInChI=1S/C20H19BrN4/c21-16-10-4-5-11-17(16)22-20-23-18(15-8-2-1-3-9-15)14-19(24-20)25-12-6-7-13-25/h1-5,8-11,14H,6-7,12-13H2,(H,22,23,24)
InChIKeyGYVOSHZTVWEXHD-UHFFFAOYSA-N
MW395.30 g/mol
LogP5.25
Rot. Bonds4

About N-(2-bromophenyl)-4-phenyl-6-pyrrolidin-1-ylpyrimidin-2-amine

N-(2-bromophenyl)-4-phenyl-6-pyrrolidin-1-ylpyrimidin-2-amine (PubChem CID 112934190) has the molecular formula C20H19BrN4 and a molecular weight of 395.30 g/mol. Its IUPAC name is N-(2-bromophenyl)-4-phenyl-6-pyrrolidin-1-ylpyrimidin-2-amine.

Molecular Properties

Compound NameN-(2-bromophenyl)-4-phenyl-6-pyrrolidin-1-ylpyrimidin-2-amine
PubChem CID112934190
Molecular FormulaC20H19BrN4
Molecular Weight395.30 g/mol
Exact Mass394.08
IUPAC NameN-(2-bromophenyl)-4-phenyl-6-pyrrolidin-1-ylpyrimidin-2-amine
SMILESBrc1ccccc1Nc1nc(-c2ccccc2)cc(N2CCCC2)n1
InChIInChI=1S/C20H19BrN4/c21-16-10-4-5-11-17(16)22-20-23-18(15-8-2-1-3-9-15)14-19(24-20)25-12-6-7-13-25/h1-5,8-11,14H,6-7,12-13H2,(H,22,23,24)
InChIKeyGYVOSHZTVWEXHD-UHFFFAOYSA-N
XLogP5.25
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.30
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-fluorophenyl)-4-phenyl-6-pyrrolidin-1-ylpyrimidin-2-amine
CID 112934156
N-(2-bromophenyl)-4-piperidin-1-ylpyrimidin-2-amine
CID 112884584
N-(2-methoxy-5-methylphenyl)-4-phenyl-6-piperidin-1-ylpyrimidin-2-amine
CID 112934541
4-phenyl-N-(4-propan-2-yloxyphenyl)-6-pyrrolidin-1-ylpyrimidin-2-amine
CID 112934172
5-(azepan-1-yl)-N-(2-bromophenyl)-1,2,4-triazin-3-amine
CID 112961320
4-phenyl-N-(pyridin-4-ylmethyl)-6-pyrrolidin-1-ylpyrimidin-2-amine
CID 112934103
N-(2-bromophenyl)-2-methyl-6-piperidin-1-ylpyrimidin-4-amine
CID 112868937
N-butyl-4-phenyl-6-pyrrolidin-1-ylpyrimidin-2-amine
CID 112933620
N-(2,6-difluorophenyl)-4-morpholin-4-yl-6-phenylpyrimidin-2-amine
CID 112935473
4-(azepan-1-yl)-N-butyl-6-phenylpyrimidin-2-amine
CID 112933669
N-[(4-fluorophenyl)methyl]-4-phenyl-6-piperidin-1-ylpyrimidin-2-amine
CID 112934497
4-[2-(2-methoxyanilino)-6-phenylpyrimidin-4-yl]piperazine-1-carbaldehyde
CID 112936593

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-4-phenyl-6-pyrrolidin-1-ylpyrimidin-2-amine?
The IUPAC name of N-(2-bromophenyl)-4-phenyl-6-pyrrolidin-1-ylpyrimidin-2-amine (CID 112934190) is N-(2-bromophenyl)-4-phenyl-6-pyrrolidin-1-ylpyrimidin-2-amine.
What is the SMILES notation for N-(2-bromophenyl)-4-phenyl-6-pyrrolidin-1-ylpyrimidin-2-amine?
The canonical SMILES for N-(2-bromophenyl)-4-phenyl-6-pyrrolidin-1-ylpyrimidin-2-amine is Brc1ccccc1Nc1nc(-c2ccccc2)cc(N2CCCC2)n1.
What is the InChIKey of N-(2-bromophenyl)-4-phenyl-6-pyrrolidin-1-ylpyrimidin-2-amine?
The InChIKey is GYVOSHZTVWEXHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19BrN4/c21-16-10-4-5-11-17(16)22-20-23-18(15-8-2-1-3-9-15)14-19(24-20)25-12-6-7-13-25/h1-5,8-11,14H,6-7,12-13H2,(H,22,23,24).
What are the key properties of N-(2-bromophenyl)-4-phenyl-6-pyrrolidin-1-ylpyrimidin-2-amine?
N-(2-bromophenyl)-4-phenyl-6-pyrrolidin-1-ylpyrimidin-2-amine has a molecular weight of 395.30 g/mol, XLogP of 5.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-4-phenyl-6-pyrrolidin-1-ylpyrimidin-2-amine is sourced from PubChem (CID 112934190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).