4-N-(2-chlorophenyl)-2-N-(4-morpholin-4-ylphenyl)pyrimidine-2,4-diamine

C20H20ClN5O — CID 70702155

IUPAC4-N-(2-chlorophenyl)-2-N-(4-morpholin-4-ylphenyl)pyrimidine-2,4-diamine
SMILESClc1ccccc1Nc1ccnc(Nc2ccc(N3CCOCC3)cc2)n1
InChIInChI=1S/C20H20ClN5O/c21-17-3-1-2-4-18(17)24-19-9-10-22-20(25-19)23-15-5-7-16(8-6-15)26-11-13-27-14-12-26/h1-10H,11-14H2,(H2,22,23,24,25)
InChIKeySWLCIRDDAOKOHP-UHFFFAOYSA-N
MW381.87 g/mol
LogP4.45
Rot. Bonds5

About 4-N-(2-chlorophenyl)-2-N-(4-morpholin-4-ylphenyl)pyrimidine-2,4-diamine

4-N-(2-chlorophenyl)-2-N-(4-morpholin-4-ylphenyl)pyrimidine-2,4-diamine (PubChem CID 70702155) has the molecular formula C20H20ClN5O and a molecular weight of 381.87 g/mol. Its IUPAC name is 4-N-(2-chlorophenyl)-2-N-(4-morpholin-4-ylphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(2-chlorophenyl)-2-N-(4-morpholin-4-ylphenyl)pyrimidine-2,4-diamine
PubChem CID70702155
Molecular FormulaC20H20ClN5O
Molecular Weight381.87 g/mol
Exact Mass381.14
IUPAC Name4-N-(2-chlorophenyl)-2-N-(4-morpholin-4-ylphenyl)pyrimidine-2,4-diamine
SMILESClc1ccccc1Nc1ccnc(Nc2ccc(N3CCOCC3)cc2)n1
InChIInChI=1S/C20H20ClN5O/c21-17-3-1-2-4-18(17)24-19-9-10-22-20(25-19)23-15-5-7-16(8-6-15)26-11-13-27-14-12-26/h1-10H,11-14H2,(H2,22,23,24,25)
InChIKeySWLCIRDDAOKOHP-UHFFFAOYSA-N
XLogP4.45
TPSA62.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.87
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-N-(2-chlorophenyl)-2-N-(4-morpholin-4-ylphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(2-chlorophenyl)-2-N-(4-morpholin-4-ylphenyl)pyrimidine-2,4-diamine (CID 70702155) is 4-N-(2-chlorophenyl)-2-N-(4-morpholin-4-ylphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(2-chlorophenyl)-2-N-(4-morpholin-4-ylphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(2-chlorophenyl)-2-N-(4-morpholin-4-ylphenyl)pyrimidine-2,4-diamine is Clc1ccccc1Nc1ccnc(Nc2ccc(N3CCOCC3)cc2)n1.
What is the InChIKey of 4-N-(2-chlorophenyl)-2-N-(4-morpholin-4-ylphenyl)pyrimidine-2,4-diamine?
The InChIKey is SWLCIRDDAOKOHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN5O/c21-17-3-1-2-4-18(17)24-19-9-10-22-20(25-19)23-15-5-7-16(8-6-15)26-11-13-27-14-12-26/h1-10H,11-14H2,(H2,22,23,24,25).
What are the key properties of 4-N-(2-chlorophenyl)-2-N-(4-morpholin-4-ylphenyl)pyrimidine-2,4-diamine?
4-N-(2-chlorophenyl)-2-N-(4-morpholin-4-ylphenyl)pyrimidine-2,4-diamine has a molecular weight of 381.87 g/mol, XLogP of 4.45, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-chlorophenyl)-2-N-(4-morpholin-4-ylphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 70702155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).