5-[3-[2-[bis[5-[4-[2-(4-cyclohexyl-N-(4-cyclohexylphenyl)anilino)pyrimidin-5-yl]-3-pyridinyl]pyrimidin-2-yl]amino]pyrimidin-5-yl]-4-pyridinyl]-N,N-bis(4-cyclohexylphenyl)pyrimidin-2-amine

C111H111N19 — CID 58251479

IUPAC5-[3-[2-[bis[5-[4-[2-(4-cyclohexyl-N-(4-cyclohexylphenyl)anilino)pyrimidin-5-yl]-3-pyridinyl]pyrimidin-2-yl]amino]pyrimidin-5-yl]-4-pyridinyl]-N,N-bis(4-cyclohexylphenyl)pyrimidin-2-amine
SMILESc1cc(-c2cnc(N(c3ccc(C4CCCCC4)cc3)c3ccc(C4CCCCC4)cc3)nc2)c(-c2cnc(N(c3ncc(-c4cnccc4-c4cnc(N(c5ccc(C6CCCCC6)cc5)c5ccc(C6CCCCC6)cc5)nc4)cn3)c3ncc(-c4cnccc4-c4cnc(N(c5ccc(C6CCCCC6)cc5)c5ccc(C6CCCCC6)cc5)nc4)cn3)nc2)cn1
InChIInChI=1S/C111H111N19/c1-7-19-76(20-8-1)82-31-43-94(44-32-82)127(95-45-33-83(34-46-95)77-21-9-2-10-22-77)106-115-61-88(62-116-106)100-55-58-112-73-103(100)91-67-121-109(122-68-91)130(110-123-69-92(70-124-110)104-74-113-59-56-101(104)89-63-117-107(118-64-89)128(96-47-35-84(36-48-96)78-23-11-3-12-24-78)97-49-37-85(38-50-97)79-25-13-4-14-26-79)111-125-71-93(72-126-111)105-75-114-60-57-102(105)90-65-119-108(120-66-90)129(98-51-39-86(40-52-98)80-27-15-5-16-28-80)99-53-41-87(42-54-99)81-29-17-6-18-30-81/h31-81H,1-30H2
InChIKeyYFRCESPDBUFGCT-UHFFFAOYSA-N
MW1711.24 g/mol
LogP28.78
Rot. Bonds24

About 5-[3-[2-[bis[5-[4-[2-(4-cyclohexyl-N-(4-cyclohexylphenyl)anilino)pyrimidin-5-yl]-3-pyridinyl]pyrimidin-2-yl]amino]pyrimidin-5-yl]-4-pyridinyl]-N,N-bis(4-cyclohexylphenyl)pyrimidin-2-amine

5-[3-[2-[bis[5-[4-[2-(4-cyclohexyl-N-(4-cyclohexylphenyl)anilino)pyrimidin-5-yl]-3-pyridinyl]pyrimidin-2-yl]amino]pyrimidin-5-yl]-4-pyridinyl]-N,N-bis(4-cyclohexylphenyl)pyrimidin-2-amine (PubChem CID 58251479) has the molecular formula C111H111N19 and a molecular weight of 1711.24 g/mol. Its IUPAC name is 5-[3-[2-[bis[5-[4-[2-(4-cyclohexyl-N-(4-cyclohexylphenyl)anilino)pyrimidin-5-yl]-3-pyridinyl]pyrimidin-2-yl]amino]pyrimidin-5-yl]-4-pyridinyl]-N,N-bis(4-cyclohexylphenyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-[3-[2-[bis[5-[4-[2-(4-cyclohexyl-N-(4-cyclohexylphenyl)anilino)pyrimidin-5-yl]-3-pyridinyl]pyrimidin-2-yl]amino]pyrimidin-5-yl]-4-pyridinyl]-N,N-bis(4-cyclohexylphenyl)pyrimidin-2-amine
PubChem CID58251479
Molecular FormulaC111H111N19
Molecular Weight1711.24 g/mol
Exact Mass1709.93
IUPAC Name5-[3-[2-[bis[5-[4-[2-(4-cyclohexyl-N-(4-cyclohexylphenyl)anilino)pyrimidin-5-yl]-3-pyridinyl]pyrimidin-2-yl]amino]pyrimidin-5-yl]-4-pyridinyl]-N,N-bis(4-cyclohexylphenyl)pyrimidin-2-amine
SMILESc1cc(-c2cnc(N(c3ccc(C4CCCCC4)cc3)c3ccc(C4CCCCC4)cc3)nc2)c(-c2cnc(N(c3ncc(-c4cnccc4-c4cnc(N(c5ccc(C6CCCCC6)cc5)c5ccc(C6CCCCC6)cc5)nc4)cn3)c3ncc(-c4cnccc4-c4cnc(N(c5ccc(C6CCCCC6)cc5)c5ccc(C6CCCCC6)cc5)nc4)cn3)nc2)cn1
InChIInChI=1S/C111H111N19/c1-7-19-76(20-8-1)82-31-43-94(44-32-82)127(95-45-33-83(34-46-95)77-21-9-2-10-22-77)106-115-61-88(62-116-106)100-55-58-112-73-103(100)91-67-121-109(122-68-91)130(110-123-69-92(70-124-110)104-74-113-59-56-101(104)89-63-117-107(118-64-89)128(96-47-35-84(36-48-96)78-23-11-3-12-24-78)97-49-37-85(38-50-97)79-25-13-4-14-26-79)111-125-71-93(72-126-111)105-75-114-60-57-102(105)90-65-119-108(120-66-90)129(98-51-39-86(40-52-98)80-27-15-5-16-28-80)99-53-41-87(42-54-99)81-29-17-6-18-30-81/h31-81H,1-30H2
InChIKeyYFRCESPDBUFGCT-UHFFFAOYSA-N
XLogP28.78
TPSA206.31 Ų
H-Bond Donors
H-Bond Acceptors19
Rotatable Bonds24
Heavy Atoms130
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001711.24
LogP ≤ 528.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1019

Analyze 5-[3-[2-[bis[5-[4-[2-(4-cyclohexyl-N-(4-cyclohexylphenyl)anilino)pyrimidin-5-yl]-3-pyridinyl]pyrimidin-2-yl]amino]pyrimidin-5-yl]-4-pyridinyl]-N,N-bis(4-cyclohexylphenyl)pyrimidin-2-amine with MolForge

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Launch Full Analysis

Related Compounds

JNJ525 TFA salt
CID 124222736
6-(4-Dimethylamino-phenyl)-7-pyridin-4-yl-pyrido[2,3-d]pyrimidin-4-ylamine
CID 10154451
4-Pyridin-3-yl-2-pyridin-4-yl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine
CID 3431450
2-(6-pyridin-3-yl-2-pyridin-4-ylpyrimidin-4-yl)-3,4-dihydro-1H-isoquinoline
CID 3477788
4,6-bis[(E)-2-(4-piperidin-1-ylphenyl)ethenyl]pyrimidine
CID 71457447
4-(4-Phenylpiperazin-1-yl)-6-pyridin-3-yl-2-pyridin-4-ylpyrimidine
CID 155555155
4-(4-Piperidin-1-ylpiperidin-1-yl)-6-pyridin-3-yl-2-pyridin-4-ylpyrimidine
CID 155568156
4-(3-Phenylpiperidin-1-yl)-2-pyridin-3-ylquinazoline
CID 124168103
5,5'-Methylenebis(N-methyl-N-(1-(phenylmethyl)-4-piperidinyl)-2-pyrimidinamine
CID 100700
4-(2-Amino-6-pyridin-3-yl-pyrimidin-4-yl)-6-pyridin-3-yl-pyrimidin-2-amine
CID 340791
2-(2,6-dipyridin-3-ylpyrimidin-4-yl)-3,4-dihydro-1H-isoquinoline
CID 3945404
4-(4-Benzylpiperazin-1-yl)-2-phenyl-6-(5-phenylpyridin-3-yl)pyrimidine
CID 4069661

Frequently Asked Questions

What is the IUPAC name of 5-[3-[2-[bis[5-[4-[2-(4-cyclohexyl-N-(4-cyclohexylphenyl)anilino)pyrimidin-5-yl]-3-pyridinyl]pyrimidin-2-yl]amino]pyrimidin-5-yl]-4-pyridinyl]-N,N-bis(4-cyclohexylphenyl)pyrimidin-2-amine?
The IUPAC name of 5-[3-[2-[bis[5-[4-[2-(4-cyclohexyl-N-(4-cyclohexylphenyl)anilino)pyrimidin-5-yl]-3-pyridinyl]pyrimidin-2-yl]amino]pyrimidin-5-yl]-4-pyridinyl]-N,N-bis(4-cyclohexylphenyl)pyrimidin-2-amine (CID 58251479) is 5-[3-[2-[bis[5-[4-[2-(4-cyclohexyl-N-(4-cyclohexylphenyl)anilino)pyrimidin-5-yl]-3-pyridinyl]pyrimidin-2-yl]amino]pyrimidin-5-yl]-4-pyridinyl]-N,N-bis(4-cyclohexylphenyl)pyrimidin-2-amine.
What is the SMILES notation for 5-[3-[2-[bis[5-[4-[2-(4-cyclohexyl-N-(4-cyclohexylphenyl)anilino)pyrimidin-5-yl]-3-pyridinyl]pyrimidin-2-yl]amino]pyrimidin-5-yl]-4-pyridinyl]-N,N-bis(4-cyclohexylphenyl)pyrimidin-2-amine?
The canonical SMILES for 5-[3-[2-[bis[5-[4-[2-(4-cyclohexyl-N-(4-cyclohexylphenyl)anilino)pyrimidin-5-yl]-3-pyridinyl]pyrimidin-2-yl]amino]pyrimidin-5-yl]-4-pyridinyl]-N,N-bis(4-cyclohexylphenyl)pyrimidin-2-amine is c1cc(-c2cnc(N(c3ccc(C4CCCCC4)cc3)c3ccc(C4CCCCC4)cc3)nc2)c(-c2cnc(N(c3ncc(-c4cnccc4-c4cnc(N(c5ccc(C6CCCCC6)cc5)c5ccc(C6CCCCC6)cc5)nc4)cn3)c3ncc(-c4cnccc4-c4cnc(N(c5ccc(C6CCCCC6)cc5)c5ccc(C6CCCCC6)cc5)nc4)cn3)nc2)cn1.
What is the InChIKey of 5-[3-[2-[bis[5-[4-[2-(4-cyclohexyl-N-(4-cyclohexylphenyl)anilino)pyrimidin-5-yl]-3-pyridinyl]pyrimidin-2-yl]amino]pyrimidin-5-yl]-4-pyridinyl]-N,N-bis(4-cyclohexylphenyl)pyrimidin-2-amine?
The InChIKey is YFRCESPDBUFGCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C111H111N19/c1-7-19-76(20-8-1)82-31-43-94(44-32-82)127(95-45-33-83(34-46-95)77-21-9-2-10-22-77)106-115-61-88(62-116-106)100-55-58-112-73-103(100)91-67-121-109(122-68-91)130(110-123-69-92(70-124-110)104-74-113-59-56-101(104)89-63-117-107(118-64-89)128(96-47-35-84(36-48-96)78-23-11-3-12-24-78)97-49-37-85(38-50-97)79-25-13-4-14-26-79)111-125-71-93(72-126-111)105-75-114-60-57-102(105)90-65-119-108(120-66-90)129(98-51-39-86(40-52-98)80-27-15-5-16-28-80)99-53-41-87(42-54-99)81-29-17-6-18-30-81/h31-81H,1-30H2.
What are the key properties of 5-[3-[2-[bis[5-[4-[2-(4-cyclohexyl-N-(4-cyclohexylphenyl)anilino)pyrimidin-5-yl]-3-pyridinyl]pyrimidin-2-yl]amino]pyrimidin-5-yl]-4-pyridinyl]-N,N-bis(4-cyclohexylphenyl)pyrimidin-2-amine?
5-[3-[2-[bis[5-[4-[2-(4-cyclohexyl-N-(4-cyclohexylphenyl)anilino)pyrimidin-5-yl]-3-pyridinyl]pyrimidin-2-yl]amino]pyrimidin-5-yl]-4-pyridinyl]-N,N-bis(4-cyclohexylphenyl)pyrimidin-2-amine has a molecular weight of 1711.24 g/mol, XLogP of 28.78, 24 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[2-[bis[5-[4-[2-(4-cyclohexyl-N-(4-cyclohexylphenyl)anilino)pyrimidin-5-yl]-3-pyridinyl]pyrimidin-2-yl]amino]pyrimidin-5-yl]-4-pyridinyl]-N,N-bis(4-cyclohexylphenyl)pyrimidin-2-amine is sourced from PubChem (CID 58251479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).