4-[4-(4-bromophenyl)-2-methylpyrrolidin-1-yl]-N-cyclohexyl-N-methylpyrimidin-2-amine

C22H29BrN4 — CID 166382767

IUPAC4-[4-(4-bromophenyl)-2-methylpyrrolidin-1-yl]-N-cyclohexyl-N-methylpyrimidin-2-amine
SMILESCC1CC(c2ccc(Br)cc2)CN1c1ccnc(N(C)C2CCCCC2)n1
InChIInChI=1S/C22H29BrN4/c1-16-14-18(17-8-10-19(23)11-9-17)15-27(16)21-12-13-24-22(25-21)26(2)20-6-4-3-5-7-20/h8-13,16,18,20H,3-7,14-15H2,1-2H3
InChIKeyZTLILSQWCNEZBH-UHFFFAOYSA-N
MW429.41 g/mol
LogP5.39
Rot. Bonds4

About 4-[4-(4-bromophenyl)-2-methylpyrrolidin-1-yl]-N-cyclohexyl-N-methylpyrimidin-2-amine

4-[4-(4-bromophenyl)-2-methylpyrrolidin-1-yl]-N-cyclohexyl-N-methylpyrimidin-2-amine (PubChem CID 166382767) has the molecular formula C22H29BrN4 and a molecular weight of 429.41 g/mol. Its IUPAC name is 4-[4-(4-bromophenyl)-2-methylpyrrolidin-1-yl]-N-cyclohexyl-N-methylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[4-(4-bromophenyl)-2-methylpyrrolidin-1-yl]-N-cyclohexyl-N-methylpyrimidin-2-amine
PubChem CID166382767
Molecular FormulaC22H29BrN4
Molecular Weight429.41 g/mol
Exact Mass428.16
IUPAC Name4-[4-(4-bromophenyl)-2-methylpyrrolidin-1-yl]-N-cyclohexyl-N-methylpyrimidin-2-amine
SMILESCC1CC(c2ccc(Br)cc2)CN1c1ccnc(N(C)C2CCCCC2)n1
InChIInChI=1S/C22H29BrN4/c1-16-14-18(17-8-10-19(23)11-9-17)15-27(16)21-12-13-24-22(25-21)26(2)20-6-4-3-5-7-20/h8-13,16,18,20H,3-7,14-15H2,1-2H3
InChIKeyZTLILSQWCNEZBH-UHFFFAOYSA-N
XLogP5.39
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.41
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-N-methyl-4-(2-methyl-4-phenylpyrrolidin-1-yl)pyrimidin-2-amine
CID 166382768
4-[2-methyl-4-(4-methylphenyl)pyrrolidin-1-yl]-2-propan-2-ylpyrimidine
CID 166382778
6-[4-(4-bromophenyl)-2-methylpyrrolidin-1-yl]-2-chloro-N-cyclopropylpyrimidin-4-amine
CID 166382757
4-(4-cyclohexyl-2-methylpyrrolidin-1-yl)-N,N-diethylpyrimidin-2-amine
CID 166382797
N-[1-[(4-bromophenyl)methyl]piperidin-3-yl]-N-methyl-4-morpholin-4-ylpyrimidin-2-amine
CID 171998821
5-bromo-N-[1-(2-cyclopropylpyrimidin-4-yl)piperidin-4-yl]-N-methylpyrimidin-2-amine
CID 171328258
N-[1-[(5-bromo-2-pyridinyl)methyl]piperidin-3-yl]-N-methyl-4-morpholin-4-ylpyrimidin-2-amine
CID 172881656
N-cyclohexyl-N-methyl-4-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]pyrimidin-2-amine
CID 166340886
4-[2-[cyclopropyl(methyl)amino]pyrimidin-4-yl]-3-phenylpiperazin-2-one
CID 69101897
N-cyclohexyl-N-methyl-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-amine
CID 141190490
4-N-[1-[(4-bromophenyl)methyl]piperidin-3-yl]-2-N,2-N,4-N-trimethylpyrimidine-2,4-diamine
CID 172893269
4-[3-(dimethylamino)piperidin-1-yl]pyrimidin-2-amine
CID 80856327

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-bromophenyl)-2-methylpyrrolidin-1-yl]-N-cyclohexyl-N-methylpyrimidin-2-amine?
The IUPAC name of 4-[4-(4-bromophenyl)-2-methylpyrrolidin-1-yl]-N-cyclohexyl-N-methylpyrimidin-2-amine (CID 166382767) is 4-[4-(4-bromophenyl)-2-methylpyrrolidin-1-yl]-N-cyclohexyl-N-methylpyrimidin-2-amine.
What is the SMILES notation for 4-[4-(4-bromophenyl)-2-methylpyrrolidin-1-yl]-N-cyclohexyl-N-methylpyrimidin-2-amine?
The canonical SMILES for 4-[4-(4-bromophenyl)-2-methylpyrrolidin-1-yl]-N-cyclohexyl-N-methylpyrimidin-2-amine is CC1CC(c2ccc(Br)cc2)CN1c1ccnc(N(C)C2CCCCC2)n1.
What is the InChIKey of 4-[4-(4-bromophenyl)-2-methylpyrrolidin-1-yl]-N-cyclohexyl-N-methylpyrimidin-2-amine?
The InChIKey is ZTLILSQWCNEZBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29BrN4/c1-16-14-18(17-8-10-19(23)11-9-17)15-27(16)21-12-13-24-22(25-21)26(2)20-6-4-3-5-7-20/h8-13,16,18,20H,3-7,14-15H2,1-2H3.
What are the key properties of 4-[4-(4-bromophenyl)-2-methylpyrrolidin-1-yl]-N-cyclohexyl-N-methylpyrimidin-2-amine?
4-[4-(4-bromophenyl)-2-methylpyrrolidin-1-yl]-N-cyclohexyl-N-methylpyrimidin-2-amine has a molecular weight of 429.41 g/mol, XLogP of 5.39, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-bromophenyl)-2-methylpyrrolidin-1-yl]-N-cyclohexyl-N-methylpyrimidin-2-amine is sourced from PubChem (CID 166382767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).