N-[4-[1-[(6-amino-2-pyridinyl)methyl]-5-(2-chlorophenyl)pyrrol-2-yl]phenyl]pyrimidin-5-amine;6-[[2-(4-bromophenyl)-5-(2-chlorophenyl)pyrrol-1-yl]methyl]pyridin-2-amine;pyrimidin-5-amine

C52H43BrCl2N12 — CID 160525609

IUPACN-[4-[1-[(6-amino-2-pyridinyl)methyl]-5-(2-chlorophenyl)pyrrol-2-yl]phenyl]pyrimidin-5-amine;6-[[2-(4-bromophenyl)-5-(2-chlorophenyl)pyrrol-1-yl]methyl]pyridin-2-amine;pyrimidin-5-amine
SMILESNc1cccc(Cn2c(-c3ccc(Br)cc3)ccc2-c2ccccc2Cl)n1.Nc1cccc(Cn2c(-c3ccc(Nc4cncnc4)cc3)ccc2-c2ccccc2Cl)n1.Nc1cncnc1
InChIInChI=1S/C26H21ClN6.C22H17BrClN3.C4H5N3/c27-23-6-2-1-5-22(23)25-13-12-24(33(25)16-20-4-3-7-26(28)32-20)18-8-10-19(11-9-18)31-21-14-29-17-30-15-21;23-16-10-8-15(9-11-16)20-12-13-21(18-5-1-2-6-19(18)24)27(20)14-17-4-3-7-22(25)26-17;5-4-1-6-3-7-2-4/h1-15,17,31H,16H2,(H2,28,32);1-13H,14H2,(H2,25,26);1-3H,5H2
InChIKeyQUVQERJKEKURKP-UHFFFAOYSA-N
MW986.81 g/mol
LogP12.36
Rot. Bonds10

About N-[4-[1-[(6-amino-2-pyridinyl)methyl]-5-(2-chlorophenyl)pyrrol-2-yl]phenyl]pyrimidin-5-amine;6-[[2-(4-bromophenyl)-5-(2-chlorophenyl)pyrrol-1-yl]methyl]pyridin-2-amine;pyrimidin-5-amine

N-[4-[1-[(6-amino-2-pyridinyl)methyl]-5-(2-chlorophenyl)pyrrol-2-yl]phenyl]pyrimidin-5-amine;6-[[2-(4-bromophenyl)-5-(2-chlorophenyl)pyrrol-1-yl]methyl]pyridin-2-amine;pyrimidin-5-amine (PubChem CID 160525609) has the molecular formula C52H43BrCl2N12 and a molecular weight of 986.81 g/mol. Its IUPAC name is N-[4-[1-[(6-amino-2-pyridinyl)methyl]-5-(2-chlorophenyl)pyrrol-2-yl]phenyl]pyrimidin-5-amine;6-[[2-(4-bromophenyl)-5-(2-chlorophenyl)pyrrol-1-yl]methyl]pyridin-2-amine;pyrimidin-5-amine.

Molecular Properties

Compound NameN-[4-[1-[(6-amino-2-pyridinyl)methyl]-5-(2-chlorophenyl)pyrrol-2-yl]phenyl]pyrimidin-5-amine;6-[[2-(4-bromophenyl)-5-(2-chlorophenyl)pyrrol-1-yl]methyl]pyridin-2-amine;pyrimidin-5-amine
PubChem CID160525609
Molecular FormulaC52H43BrCl2N12
Molecular Weight986.81 g/mol
Exact Mass984.23
IUPAC NameN-[4-[1-[(6-amino-2-pyridinyl)methyl]-5-(2-chlorophenyl)pyrrol-2-yl]phenyl]pyrimidin-5-amine;6-[[2-(4-bromophenyl)-5-(2-chlorophenyl)pyrrol-1-yl]methyl]pyridin-2-amine;pyrimidin-5-amine
SMILESNc1cccc(Cn2c(-c3ccc(Br)cc3)ccc2-c2ccccc2Cl)n1.Nc1cccc(Cn2c(-c3ccc(Nc4cncnc4)cc3)ccc2-c2ccccc2Cl)n1.Nc1cncnc1
InChIInChI=1S/C26H21ClN6.C22H17BrClN3.C4H5N3/c27-23-6-2-1-5-22(23)25-13-12-24(33(25)16-20-4-3-7-26(28)32-20)18-8-10-19(11-9-18)31-21-14-29-17-30-15-21;23-16-10-8-15(9-11-16)20-12-13-21(18-5-1-2-6-19(18)24)27(20)14-17-4-3-7-22(25)26-17;5-4-1-6-3-7-2-4/h1-15,17,31H,16H2,(H2,28,32);1-13H,14H2,(H2,25,26);1-3H,5H2
InChIKeyQUVQERJKEKURKP-UHFFFAOYSA-N
XLogP12.36
TPSA177.29 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds10
Heavy Atoms67
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500986.81
LogP ≤ 512.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Analyze N-[4-[1-[(6-amino-2-pyridinyl)methyl]-5-(2-chlorophenyl)pyrrol-2-yl]phenyl]pyrimidin-5-amine;6-[[2-(4-bromophenyl)-5-(2-chlorophenyl)pyrrol-1-yl]methyl]pyridin-2-amine;pyrimidin-5-amine with MolForge

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Related Compounds

N-(4-(1-((6-aminopyridin-2-yl)methyl)-5-(2-chlorophenyl)-1H-pyrrol-2-yl)phenyl)pyrimidin-5-amine
CID 11546946
2-(4-bromophenyl)-6-[5-(4-chlorophenyl)-1H-imidazol-2-yl]-N-phenylimidazo[1,2-a]pyrimidin-3-amine
CID 50907918
N-[2-[[4-(4-bromo-2-chlorophenyl)-5-(1H-imidazol-2-yl)pyrimidin-2-yl]-[[4-(4-bromo-2-chlorophenyl)-5-(1H-imidazol-2-yl)pyrimidin-2-yl]-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]amino]amino]ethyl]-5-(trifluoromethyl)pyridin-2-amine
CID 87779138
3-(6-chloro-2-pyridinyl)-2-methylimidazo[1,2-a]pyridine;4-methylaniline;6-(2-methylimidazo[1,2-a]pyridin-3-yl)-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine
CID 157532580
5-[1-[4-(4-Chloro-3-methylphenyl)-6-methylpyrimidin-2-yl]imidazol-4-yl]pyridin-2-amine;5-[1-[4-(4-fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]imidazol-4-yl]pyridin-2-amine
CID 158232202
N-[2-[[4-(4-bromo-2-chlorophenyl)-5-(1H-imidazol-2-yl)pyrimidin-2-yl]-[[4-(4-bromo-2-chlorophenyl)-5-(1H-imidazol-2-yl)pyrimidin-2-yl]-[2-[(5-nitro-2-pyridinyl)amino]ethyl]amino]amino]ethyl]-5-nitropyridin-2-amine
CID 87779285
2-chloro-4-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]pyridine;4-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]-N-phenylpyridin-2-amine;4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-N-phenylpyridin-2-amine
CID 91521506
3-bromo-6-(2-chloro-4-methylphenyl)-8-N-(pyridin-3-ylmethyl)imidazo[1,2-a]pyridine-5,8-diamine;3-bromo-6-(2-chlorophenyl)-8-N-pyridin-3-ylimidazo[1,2-a]pyridine-5,8-diamine
CID 143426714
6-bromo-N-(3-chloro-4-fluorophenyl)-2-pyridin-3-ylquinazolin-4-amine;N-(3-chloro-4-fluorophenyl)-2-pyridin-3-yl-6-(4-pyrrolidin-1-ylbutyl)quinazolin-4-amine;methane;3-pyrrolidin-1-ylpropan-1-amine
CID 157164302
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
2-(4-Bromophenyl)-4,6-diphenylpyrimidine;4-(4-bromophenyl)-2,6-diphenylpyrimidine;5-chloro-2,4-diphenylpyrimidine;2-chloro-4,6-diphenyl-1,3,5-triazine
CID 157258498
6-Bromoimidazo[1,2-a]pyridin-2-amine;6-bromo-2-[[4-(pyrrolidin-1-ylmethyl)-2-pyridinyl]methyl]imidazo[1,2-a]pyridine;2-chloro-4-(pyrrolidin-1-ylmethyl)pyridine
CID 157366990

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-[(6-amino-2-pyridinyl)methyl]-5-(2-chlorophenyl)pyrrol-2-yl]phenyl]pyrimidin-5-amine;6-[[2-(4-bromophenyl)-5-(2-chlorophenyl)pyrrol-1-yl]methyl]pyridin-2-amine;pyrimidin-5-amine?
The IUPAC name of N-[4-[1-[(6-amino-2-pyridinyl)methyl]-5-(2-chlorophenyl)pyrrol-2-yl]phenyl]pyrimidin-5-amine;6-[[2-(4-bromophenyl)-5-(2-chlorophenyl)pyrrol-1-yl]methyl]pyridin-2-amine;pyrimidin-5-amine (CID 160525609) is N-[4-[1-[(6-amino-2-pyridinyl)methyl]-5-(2-chlorophenyl)pyrrol-2-yl]phenyl]pyrimidin-5-amine;6-[[2-(4-bromophenyl)-5-(2-chlorophenyl)pyrrol-1-yl]methyl]pyridin-2-amine;pyrimidin-5-amine.
What is the SMILES notation for N-[4-[1-[(6-amino-2-pyridinyl)methyl]-5-(2-chlorophenyl)pyrrol-2-yl]phenyl]pyrimidin-5-amine;6-[[2-(4-bromophenyl)-5-(2-chlorophenyl)pyrrol-1-yl]methyl]pyridin-2-amine;pyrimidin-5-amine?
The canonical SMILES for N-[4-[1-[(6-amino-2-pyridinyl)methyl]-5-(2-chlorophenyl)pyrrol-2-yl]phenyl]pyrimidin-5-amine;6-[[2-(4-bromophenyl)-5-(2-chlorophenyl)pyrrol-1-yl]methyl]pyridin-2-amine;pyrimidin-5-amine is Nc1cccc(Cn2c(-c3ccc(Br)cc3)ccc2-c2ccccc2Cl)n1.Nc1cccc(Cn2c(-c3ccc(Nc4cncnc4)cc3)ccc2-c2ccccc2Cl)n1.Nc1cncnc1.
What is the InChIKey of N-[4-[1-[(6-amino-2-pyridinyl)methyl]-5-(2-chlorophenyl)pyrrol-2-yl]phenyl]pyrimidin-5-amine;6-[[2-(4-bromophenyl)-5-(2-chlorophenyl)pyrrol-1-yl]methyl]pyridin-2-amine;pyrimidin-5-amine?
The InChIKey is QUVQERJKEKURKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21ClN6.C22H17BrClN3.C4H5N3/c27-23-6-2-1-5-22(23)25-13-12-24(33(25)16-20-4-3-7-26(28)32-20)18-8-10-19(11-9-18)31-21-14-29-17-30-15-21;23-16-10-8-15(9-11-16)20-12-13-21(18-5-1-2-6-19(18)24)27(20)14-17-4-3-7-22(25)26-17;5-4-1-6-3-7-2-4/h1-15,17,31H,16H2,(H2,28,32);1-13H,14H2,(H2,25,26);1-3H,5H2.
What are the key properties of N-[4-[1-[(6-amino-2-pyridinyl)methyl]-5-(2-chlorophenyl)pyrrol-2-yl]phenyl]pyrimidin-5-amine;6-[[2-(4-bromophenyl)-5-(2-chlorophenyl)pyrrol-1-yl]methyl]pyridin-2-amine;pyrimidin-5-amine?
N-[4-[1-[(6-amino-2-pyridinyl)methyl]-5-(2-chlorophenyl)pyrrol-2-yl]phenyl]pyrimidin-5-amine;6-[[2-(4-bromophenyl)-5-(2-chlorophenyl)pyrrol-1-yl]methyl]pyridin-2-amine;pyrimidin-5-amine has a molecular weight of 986.81 g/mol, XLogP of 12.36, 10 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-[(6-amino-2-pyridinyl)methyl]-5-(2-chlorophenyl)pyrrol-2-yl]phenyl]pyrimidin-5-amine;6-[[2-(4-bromophenyl)-5-(2-chlorophenyl)pyrrol-1-yl]methyl]pyridin-2-amine;pyrimidin-5-amine is sourced from PubChem (CID 160525609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).