4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine

C19H21N5OS — CID 10248401

IUPAC4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine
SMILESCc1nc(C)c(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)s1
InChIInChI=1S/C19H21N5OS/c1-13-18(26-14(2)21-13)17-7-8-20-19(23-17)22-15-3-5-16(6-4-15)24-9-11-25-12-10-24/h3-8H,9-12H2,1-2H3,(H,20,22,23)
InChIKeyWIFHQQKDNLBDGL-UHFFFAOYSA-N
MW367.48 g/mol
LogP3.80
Rot. Bonds4

About 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine

4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine (PubChem CID 10248401) has the molecular formula C19H21N5OS and a molecular weight of 367.48 g/mol. Its IUPAC name is 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine
PubChem CID10248401
Molecular FormulaC19H21N5OS
Molecular Weight367.48 g/mol
Exact Mass367.15
IUPAC Name4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine
SMILESCc1nc(C)c(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)s1
InChIInChI=1S/C19H21N5OS/c1-13-18(26-14(2)21-13)17-7-8-20-19(23-17)22-15-3-5-16(6-4-15)24-9-11-25-12-10-24/h3-8H,9-12H2,1-2H3,(H,20,22,23)
InChIKeyWIFHQQKDNLBDGL-UHFFFAOYSA-N
XLogP3.80
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.48
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine?
The IUPAC name of 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine (CID 10248401) is 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine?
The canonical SMILES for 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine is Cc1nc(C)c(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)s1.
What is the InChIKey of 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine?
The InChIKey is WIFHQQKDNLBDGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5OS/c1-13-18(26-14(2)21-13)17-7-8-20-19(23-17)22-15-3-5-16(6-4-15)24-9-11-25-12-10-24/h3-8H,9-12H2,1-2H3,(H,20,22,23).
What are the key properties of 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine?
4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine has a molecular weight of 367.48 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine is sourced from PubChem (CID 10248401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).