4-(1H-indol-5-yl)-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine

C22H21N5O — CID 46882411

IUPAC4-(1H-indol-5-yl)-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine
SMILESc1cc(-c2ccc3[nH]ccc3c2)nc(Nc2ccc(N3CCOCC3)cc2)n1
InChIInChI=1S/C22H21N5O/c1-6-20-17(7-9-23-20)15-16(1)21-8-10-24-22(26-21)25-18-2-4-19(5-3-18)27-11-13-28-14-12-27/h1-10,15,23H,11-14H2,(H,24,25,26)
InChIKeyDRAMIPAVQGEJMC-UHFFFAOYSA-N
MW371.44 g/mol
LogP4.21
Rot. Bonds4

About 4-(1H-indol-5-yl)-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine

4-(1H-indol-5-yl)-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine (PubChem CID 46882411) has the molecular formula C22H21N5O and a molecular weight of 371.44 g/mol. Its IUPAC name is 4-(1H-indol-5-yl)-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(1H-indol-5-yl)-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine
PubChem CID46882411
Molecular FormulaC22H21N5O
Molecular Weight371.44 g/mol
Exact Mass371.17
IUPAC Name4-(1H-indol-5-yl)-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine
SMILESc1cc(-c2ccc3[nH]ccc3c2)nc(Nc2ccc(N3CCOCC3)cc2)n1
InChIInChI=1S/C22H21N5O/c1-6-20-17(7-9-23-20)15-16(1)21-8-10-24-22(26-21)25-18-2-4-19(5-3-18)27-11-13-28-14-12-27/h1-10,15,23H,11-14H2,(H,24,25,26)
InChIKeyDRAMIPAVQGEJMC-UHFFFAOYSA-N
XLogP4.21
TPSA66.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

4-(4-methylphenyl)-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine
CID 145490173
2-chloro-4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]benzonitrile
CID 25061946
2-(1H-indol-5-yl)-N-(4-morpholin-4-ylphenyl)pyridine-4-carboxamide
CID 117093423
4-(2-morpholin-4-yl-4-pyridinyl)-N-phenylpyrimidin-2-amine
CID 71458570
2-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]acetamide
CID 154271986
4-(3-morpholin-4-ylphenyl)-N-[4-(triazol-1-yl)phenyl]pyrimidin-2-amine
CID 44627580
N-[2-cyano-4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]-N-methylsulfonylmethanesulfonamide
CID 118555520
2-(2-hydroxy-2-methylpropoxy)-5-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]benzonitrile
CID 67115632
4-methyl-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine
CID 123331778
2-cyano-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]acetamide
CID 25060146
4-N-(1H-indol-5-yl)-2-N-(4-methoxy-3-morpholin-4-ylphenyl)pyrimidine-2,4-diamine
CID 142735039
N-[3-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]prop-2-enamide
CID 162658060

Frequently Asked Questions

What is the IUPAC name of 4-(1H-indol-5-yl)-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine?
The IUPAC name of 4-(1H-indol-5-yl)-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine (CID 46882411) is 4-(1H-indol-5-yl)-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(1H-indol-5-yl)-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine?
The canonical SMILES for 4-(1H-indol-5-yl)-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine is c1cc(-c2ccc3[nH]ccc3c2)nc(Nc2ccc(N3CCOCC3)cc2)n1.
What is the InChIKey of 4-(1H-indol-5-yl)-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine?
The InChIKey is DRAMIPAVQGEJMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O/c1-6-20-17(7-9-23-20)15-16(1)21-8-10-24-22(26-21)25-18-2-4-19(5-3-18)27-11-13-28-14-12-27/h1-10,15,23H,11-14H2,(H,24,25,26).
What are the key properties of 4-(1H-indol-5-yl)-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine?
4-(1H-indol-5-yl)-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine has a molecular weight of 371.44 g/mol, XLogP of 4.21, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-indol-5-yl)-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine is sourced from PubChem (CID 46882411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).