8-bromo-2-(cyclohexylmethyl)-N-(pyridin-2-ylmethyl)pyrrolo[1,2-a]pyrimidin-4-amine;8-bromo-2-[(2,6-dichlorophenyl)methyl]-N-(pyridin-2-ylmethyl)pyrrolo[1,2-a]pyrimidin-4-amine

C40H38Br2Cl2N8 — CID 157210192

IUPAC8-bromo-2-(cyclohexylmethyl)-N-(pyridin-2-ylmethyl)pyrrolo[1,2-a]pyrimidin-4-amine;8-bromo-2-[(2,6-dichlorophenyl)methyl]-N-(pyridin-2-ylmethyl)pyrrolo[1,2-a]pyrimidin-4-amine
SMILESBrc1ccn2c(NCc3ccccn3)cc(CC3CCCCC3)nc12.Clc1cccc(Cl)c1Cc1cc(NCc2ccccn2)n2ccc(Br)c2n1
InChIInChI=1S/C20H15BrCl2N4.C20H23BrN4/c21-16-7-9-27-19(25-12-13-4-1-2-8-24-13)11-14(26-20(16)27)10-15-17(22)5-3-6-18(15)23;21-18-9-11-25-19(23-14-16-8-4-5-10-22-16)13-17(24-20(18)25)12-15-6-2-1-3-7-15/h1-9,11,25H,10,12H2;4-5,8-11,13,15,23H,1-3,6-7,12,14H2
InChIKeyARUNPAFLRWTKQQ-UHFFFAOYSA-N
MW861.51 g/mol
LogP11.23
Rot. Bonds10

About 8-bromo-2-(cyclohexylmethyl)-N-(pyridin-2-ylmethyl)pyrrolo[1,2-a]pyrimidin-4-amine;8-bromo-2-[(2,6-dichlorophenyl)methyl]-N-(pyridin-2-ylmethyl)pyrrolo[1,2-a]pyrimidin-4-amine

8-bromo-2-(cyclohexylmethyl)-N-(pyridin-2-ylmethyl)pyrrolo[1,2-a]pyrimidin-4-amine;8-bromo-2-[(2,6-dichlorophenyl)methyl]-N-(pyridin-2-ylmethyl)pyrrolo[1,2-a]pyrimidin-4-amine (PubChem CID 157210192) has the molecular formula C40H38Br2Cl2N8 and a molecular weight of 861.51 g/mol. Its IUPAC name is 8-bromo-2-(cyclohexylmethyl)-N-(pyridin-2-ylmethyl)pyrrolo[1,2-a]pyrimidin-4-amine;8-bromo-2-[(2,6-dichlorophenyl)methyl]-N-(pyridin-2-ylmethyl)pyrrolo[1,2-a]pyrimidin-4-amine.

Molecular Properties

Compound Name8-bromo-2-(cyclohexylmethyl)-N-(pyridin-2-ylmethyl)pyrrolo[1,2-a]pyrimidin-4-amine;8-bromo-2-[(2,6-dichlorophenyl)methyl]-N-(pyridin-2-ylmethyl)pyrrolo[1,2-a]pyrimidin-4-amine
PubChem CID157210192
Molecular FormulaC40H38Br2Cl2N8
Molecular Weight861.51 g/mol
Exact Mass858.10
IUPAC Name8-bromo-2-(cyclohexylmethyl)-N-(pyridin-2-ylmethyl)pyrrolo[1,2-a]pyrimidin-4-amine;8-bromo-2-[(2,6-dichlorophenyl)methyl]-N-(pyridin-2-ylmethyl)pyrrolo[1,2-a]pyrimidin-4-amine
SMILESBrc1ccn2c(NCc3ccccn3)cc(CC3CCCCC3)nc12.Clc1cccc(Cl)c1Cc1cc(NCc2ccccn2)n2ccc(Br)c2n1
InChIInChI=1S/C20H15BrCl2N4.C20H23BrN4/c21-16-7-9-27-19(25-12-13-4-1-2-8-24-13)11-14(26-20(16)27)10-15-17(22)5-3-6-18(15)23;21-18-9-11-25-19(23-14-16-8-4-5-10-22-16)13-17(24-20(18)25)12-15-6-2-1-3-7-15/h1-9,11,25H,10,12H2;4-5,8-11,13,15,23H,1-3,6-7,12,14H2
InChIKeyARUNPAFLRWTKQQ-UHFFFAOYSA-N
XLogP11.23
TPSA84.44 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500861.51
LogP ≤ 511.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 8-bromo-2-(cyclohexylmethyl)-N-(pyridin-2-ylmethyl)pyrrolo[1,2-a]pyrimidin-4-amine;8-bromo-2-[(2,6-dichlorophenyl)methyl]-N-(pyridin-2-ylmethyl)pyrrolo[1,2-a]pyrimidin-4-amine with MolForge

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Related Compounds

1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]-N-(pyridin-4-ylmethyl)piperidin-4-amine
CID 135164616
N-[1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]piperidin-4-yl]pyridin-4-amine
CID 146257104
N-[1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]piperidin-4-yl]pyridin-2-amine
CID 146257107
N-[1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]piperidin-4-yl]pyrimidin-2-amine
CID 146257114
2-(2,4-Dichlorophenyl)-3-[[4-[[2-(2,4-dichlorophenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]piperazin-1-yl]methyl]imidazo[1,2-a]pyrimidine
CID 122183057
N-{3-[2-(2-chloro-benzylamino)-pyrimidin-4-yl]-imidazo[1,2-a]pyrazin-8-yl}-cyclohexane-1,4-diamine
CID 66546521
(2-Chloro-benzyl)-{4-[8-(4-methyl-piperazin-1-yl)-imidazo[1,2-a]pyrazin-3-yl]-pyrimidin-2-yl}-amine
CID 66548630
(2-Chloro-benzyl)-{6-[8-(4-methyl-piperazin-1-yl)-imidazo[1,2-a]pyrazin-3-yl}-pyridin-2-yl]-amine
CID 66548833
US11420970, Example 210
CID 156073153
(R)-6-(2,6-dichlorophenyl)-N-(3-fluorobenzyl)-7-(piperidin-3-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 44250511
(R)-6-(2,6-dichlorophenyl)-N-(3,4-difluorobenzyl)-7-(piperidin-3-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 44250657
(R)-5-bromo-6-(2,6-dichlorophenyl)-N-(3,4-difluorobenzyl)-7-(piperidin-3-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 44250790

Frequently Asked Questions

What is the IUPAC name of 8-bromo-2-(cyclohexylmethyl)-N-(pyridin-2-ylmethyl)pyrrolo[1,2-a]pyrimidin-4-amine;8-bromo-2-[(2,6-dichlorophenyl)methyl]-N-(pyridin-2-ylmethyl)pyrrolo[1,2-a]pyrimidin-4-amine?
The IUPAC name of 8-bromo-2-(cyclohexylmethyl)-N-(pyridin-2-ylmethyl)pyrrolo[1,2-a]pyrimidin-4-amine;8-bromo-2-[(2,6-dichlorophenyl)methyl]-N-(pyridin-2-ylmethyl)pyrrolo[1,2-a]pyrimidin-4-amine (CID 157210192) is 8-bromo-2-(cyclohexylmethyl)-N-(pyridin-2-ylmethyl)pyrrolo[1,2-a]pyrimidin-4-amine;8-bromo-2-[(2,6-dichlorophenyl)methyl]-N-(pyridin-2-ylmethyl)pyrrolo[1,2-a]pyrimidin-4-amine.
What is the SMILES notation for 8-bromo-2-(cyclohexylmethyl)-N-(pyridin-2-ylmethyl)pyrrolo[1,2-a]pyrimidin-4-amine;8-bromo-2-[(2,6-dichlorophenyl)methyl]-N-(pyridin-2-ylmethyl)pyrrolo[1,2-a]pyrimidin-4-amine?
The canonical SMILES for 8-bromo-2-(cyclohexylmethyl)-N-(pyridin-2-ylmethyl)pyrrolo[1,2-a]pyrimidin-4-amine;8-bromo-2-[(2,6-dichlorophenyl)methyl]-N-(pyridin-2-ylmethyl)pyrrolo[1,2-a]pyrimidin-4-amine is Brc1ccn2c(NCc3ccccn3)cc(CC3CCCCC3)nc12.Clc1cccc(Cl)c1Cc1cc(NCc2ccccn2)n2ccc(Br)c2n1.
What is the InChIKey of 8-bromo-2-(cyclohexylmethyl)-N-(pyridin-2-ylmethyl)pyrrolo[1,2-a]pyrimidin-4-amine;8-bromo-2-[(2,6-dichlorophenyl)methyl]-N-(pyridin-2-ylmethyl)pyrrolo[1,2-a]pyrimidin-4-amine?
The InChIKey is ARUNPAFLRWTKQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15BrCl2N4.C20H23BrN4/c21-16-7-9-27-19(25-12-13-4-1-2-8-24-13)11-14(26-20(16)27)10-15-17(22)5-3-6-18(15)23;21-18-9-11-25-19(23-14-16-8-4-5-10-22-16)13-17(24-20(18)25)12-15-6-2-1-3-7-15/h1-9,11,25H,10,12H2;4-5,8-11,13,15,23H,1-3,6-7,12,14H2.
What are the key properties of 8-bromo-2-(cyclohexylmethyl)-N-(pyridin-2-ylmethyl)pyrrolo[1,2-a]pyrimidin-4-amine;8-bromo-2-[(2,6-dichlorophenyl)methyl]-N-(pyridin-2-ylmethyl)pyrrolo[1,2-a]pyrimidin-4-amine?
8-bromo-2-(cyclohexylmethyl)-N-(pyridin-2-ylmethyl)pyrrolo[1,2-a]pyrimidin-4-amine;8-bromo-2-[(2,6-dichlorophenyl)methyl]-N-(pyridin-2-ylmethyl)pyrrolo[1,2-a]pyrimidin-4-amine has a molecular weight of 861.51 g/mol, XLogP of 11.23, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-2-(cyclohexylmethyl)-N-(pyridin-2-ylmethyl)pyrrolo[1,2-a]pyrimidin-4-amine;8-bromo-2-[(2,6-dichlorophenyl)methyl]-N-(pyridin-2-ylmethyl)pyrrolo[1,2-a]pyrimidin-4-amine is sourced from PubChem (CID 157210192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).