4-[2-amino-6-[2-(4-chlorophenyl)-1H-indol-3-yl]pyrimidin-4-yl]phenol

C24H17ClN4O — CID 154926505

IUPAC4-[2-amino-6-[2-(4-chlorophenyl)-1H-indol-3-yl]pyrimidin-4-yl]phenol
SMILESNc1nc(-c2ccc(O)cc2)cc(-c2c(-c3ccc(Cl)cc3)[nH]c3ccccc23)n1
InChIInChI=1S/C24H17ClN4O/c25-16-9-5-15(6-10-16)23-22(18-3-1-2-4-19(18)27-23)21-13-20(28-24(26)29-21)14-7-11-17(30)12-8-14/h1-13,27,30H,(H2,26,28,29)
InChIKeyCSDOPIHKWMQLOW-UHFFFAOYSA-N
MW412.88 g/mol
LogP5.90
Rot. Bonds3

About 4-[2-amino-6-[2-(4-chlorophenyl)-1H-indol-3-yl]pyrimidin-4-yl]phenol

4-[2-amino-6-[2-(4-chlorophenyl)-1H-indol-3-yl]pyrimidin-4-yl]phenol (PubChem CID 154926505) has the molecular formula C24H17ClN4O and a molecular weight of 412.88 g/mol. Its IUPAC name is 4-[2-amino-6-[2-(4-chlorophenyl)-1H-indol-3-yl]pyrimidin-4-yl]phenol.

Molecular Properties

Compound Name4-[2-amino-6-[2-(4-chlorophenyl)-1H-indol-3-yl]pyrimidin-4-yl]phenol
PubChem CID154926505
Molecular FormulaC24H17ClN4O
Molecular Weight412.88 g/mol
Exact Mass412.11
IUPAC Name4-[2-amino-6-[2-(4-chlorophenyl)-1H-indol-3-yl]pyrimidin-4-yl]phenol
SMILESNc1nc(-c2ccc(O)cc2)cc(-c2c(-c3ccc(Cl)cc3)[nH]c3ccccc23)n1
InChIInChI=1S/C24H17ClN4O/c25-16-9-5-15(6-10-16)23-22(18-3-1-2-4-19(18)27-23)21-13-20(28-24(26)29-21)14-7-11-17(30)12-8-14/h1-13,27,30H,(H2,26,28,29)
InChIKeyCSDOPIHKWMQLOW-UHFFFAOYSA-N
XLogP5.90
TPSA87.82 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.88
LogP ≤ 55.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(4-phenylphenyl)-1H-indol-3-yl]phenol
CID 132917859
2-[2-amino-6-(4-chlorophenyl)pyrimidin-4-yl]-1-benzofuran-3-ol
CID 137228583
2-(4-chlorophenyl)-3-(4-methoxyphenyl)-1H-indole
CID 71517931
2-amino-4-[2-(4-chlorophenyl)-1H-indol-3-yl]-6-oxo-1H-pyrimidine-5-carbonitrile
CID 139220923
4-[3-(4-chlorophenyl)-2H-pyrazolo[3,4-b]pyridin-6-yl]phenol
CID 155539013
2-(4-chlorophenyl)-5-(2-phenyl-1H-indol-3-yl)-1,3,4-oxadiazole
CID 136746094
4-[2-(4-chlorophenyl)-4H-imidazo[4,5-b]indol-3-yl]phenol
CID 45258430
(E)-N-[4-[2-(4-chlorophenyl)-1H-indol-3-yl]-1,3-oxazol-2-yl]-1-(2-phenyl-1H-indol-3-yl)methanimine
CID 135951794
4-(4-chlorophenyl)-2-phenyl-6-[4-(10-phenylanthracen-9-yl)phenyl]pyrimidine
CID 167485118
6-(4-chlorophenyl)-4-(4-hydroxyphenyl)-1H-pyrimidine-2-thione
CID 135516765
4-(2-methyl-1H-indol-3-yl)phenol
CID 69113078
[2-(4-chlorophenyl)quinolin-4-yl]methanamine;hydrochloride
CID 82025623

Frequently Asked Questions

What is the IUPAC name of 4-[2-amino-6-[2-(4-chlorophenyl)-1H-indol-3-yl]pyrimidin-4-yl]phenol?
The IUPAC name of 4-[2-amino-6-[2-(4-chlorophenyl)-1H-indol-3-yl]pyrimidin-4-yl]phenol (CID 154926505) is 4-[2-amino-6-[2-(4-chlorophenyl)-1H-indol-3-yl]pyrimidin-4-yl]phenol.
What is the SMILES notation for 4-[2-amino-6-[2-(4-chlorophenyl)-1H-indol-3-yl]pyrimidin-4-yl]phenol?
The canonical SMILES for 4-[2-amino-6-[2-(4-chlorophenyl)-1H-indol-3-yl]pyrimidin-4-yl]phenol is Nc1nc(-c2ccc(O)cc2)cc(-c2c(-c3ccc(Cl)cc3)[nH]c3ccccc23)n1.
What is the InChIKey of 4-[2-amino-6-[2-(4-chlorophenyl)-1H-indol-3-yl]pyrimidin-4-yl]phenol?
The InChIKey is CSDOPIHKWMQLOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17ClN4O/c25-16-9-5-15(6-10-16)23-22(18-3-1-2-4-19(18)27-23)21-13-20(28-24(26)29-21)14-7-11-17(30)12-8-14/h1-13,27,30H,(H2,26,28,29).
What are the key properties of 4-[2-amino-6-[2-(4-chlorophenyl)-1H-indol-3-yl]pyrimidin-4-yl]phenol?
4-[2-amino-6-[2-(4-chlorophenyl)-1H-indol-3-yl]pyrimidin-4-yl]phenol has a molecular weight of 412.88 g/mol, XLogP of 5.90, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-amino-6-[2-(4-chlorophenyl)-1H-indol-3-yl]pyrimidin-4-yl]phenol is sourced from PubChem (CID 154926505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).