4-N-[3-(2-methyl-1,3-thiazol-5-yl)phenyl]-2-N-[3-(2-morpholin-4-ylethyl)phenyl]-5-pyrimidin-5-ylpyrimidine-2,4-diamine

C30H30N8OS — CID 25104656

IUPAC4-N-[3-(2-methyl-1,3-thiazol-5-yl)phenyl]-2-N-[3-(2-morpholin-4-ylethyl)phenyl]-5-pyrimidin-5-ylpyrimidine-2,4-diamine
SMILESCc1ncc(-c2cccc(Nc3nc(Nc4cccc(CCN5CCOCC5)c4)ncc3-c3cncnc3)c2)s1
InChIInChI=1S/C30H30N8OS/c1-21-33-19-28(40-21)23-5-3-7-26(15-23)35-29-27(24-16-31-20-32-17-24)18-34-30(37-29)36-25-6-2-4-22(14-25)8-9-38-10-12-39-13-11-38/h2-7,14-20H,8-13H2,1H3,(H2,34,35,36,37)
InChIKeyUAZWPOBXSNAUND-UHFFFAOYSA-N
MW550.69 g/mol
LogP5.73
Rot. Bonds9

About 4-N-[3-(2-methyl-1,3-thiazol-5-yl)phenyl]-2-N-[3-(2-morpholin-4-ylethyl)phenyl]-5-pyrimidin-5-ylpyrimidine-2,4-diamine

4-N-[3-(2-methyl-1,3-thiazol-5-yl)phenyl]-2-N-[3-(2-morpholin-4-ylethyl)phenyl]-5-pyrimidin-5-ylpyrimidine-2,4-diamine (PubChem CID 25104656) has the molecular formula C30H30N8OS and a molecular weight of 550.69 g/mol. Its IUPAC name is 4-N-[3-(2-methyl-1,3-thiazol-5-yl)phenyl]-2-N-[3-(2-morpholin-4-ylethyl)phenyl]-5-pyrimidin-5-ylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[3-(2-methyl-1,3-thiazol-5-yl)phenyl]-2-N-[3-(2-morpholin-4-ylethyl)phenyl]-5-pyrimidin-5-ylpyrimidine-2,4-diamine
PubChem CID25104656
Molecular FormulaC30H30N8OS
Molecular Weight550.69 g/mol
Exact Mass550.23
IUPAC Name4-N-[3-(2-methyl-1,3-thiazol-5-yl)phenyl]-2-N-[3-(2-morpholin-4-ylethyl)phenyl]-5-pyrimidin-5-ylpyrimidine-2,4-diamine
SMILESCc1ncc(-c2cccc(Nc3nc(Nc4cccc(CCN5CCOCC5)c4)ncc3-c3cncnc3)c2)s1
InChIInChI=1S/C30H30N8OS/c1-21-33-19-28(40-21)23-5-3-7-26(15-23)35-29-27(24-16-31-20-32-17-24)18-34-30(37-29)36-25-6-2-4-22(14-25)8-9-38-10-12-39-13-11-38/h2-7,14-20H,8-13H2,1H3,(H2,34,35,36,37)
InChIKeyUAZWPOBXSNAUND-UHFFFAOYSA-N
XLogP5.73
TPSA100.98 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.69
LogP ≤ 55.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 4-N-[3-(2-methyl-1,3-thiazol-5-yl)phenyl]-2-N-[3-(2-morpholin-4-ylethyl)phenyl]-5-pyrimidin-5-ylpyrimidine-2,4-diamine 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-N-[3-(2-methyl-1,3-thiazol-5-yl)phenyl]-2-N-[3-(2-morpholin-4-ylethyl)phenyl]-5-pyrimidin-5-ylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-[3-(2-methyl-1,3-thiazol-5-yl)phenyl]-2-N-[3-(2-morpholin-4-ylethyl)phenyl]-5-pyrimidin-5-ylpyrimidine-2,4-diamine (CID 25104656) is 4-N-[3-(2-methyl-1,3-thiazol-5-yl)phenyl]-2-N-[3-(2-morpholin-4-ylethyl)phenyl]-5-pyrimidin-5-ylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[3-(2-methyl-1,3-thiazol-5-yl)phenyl]-2-N-[3-(2-morpholin-4-ylethyl)phenyl]-5-pyrimidin-5-ylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[3-(2-methyl-1,3-thiazol-5-yl)phenyl]-2-N-[3-(2-morpholin-4-ylethyl)phenyl]-5-pyrimidin-5-ylpyrimidine-2,4-diamine is Cc1ncc(-c2cccc(Nc3nc(Nc4cccc(CCN5CCOCC5)c4)ncc3-c3cncnc3)c2)s1.
What is the InChIKey of 4-N-[3-(2-methyl-1,3-thiazol-5-yl)phenyl]-2-N-[3-(2-morpholin-4-ylethyl)phenyl]-5-pyrimidin-5-ylpyrimidine-2,4-diamine?
The InChIKey is UAZWPOBXSNAUND-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N8OS/c1-21-33-19-28(40-21)23-5-3-7-26(15-23)35-29-27(24-16-31-20-32-17-24)18-34-30(37-29)36-25-6-2-4-22(14-25)8-9-38-10-12-39-13-11-38/h2-7,14-20H,8-13H2,1H3,(H2,34,35,36,37).
What are the key properties of 4-N-[3-(2-methyl-1,3-thiazol-5-yl)phenyl]-2-N-[3-(2-morpholin-4-ylethyl)phenyl]-5-pyrimidin-5-ylpyrimidine-2,4-diamine?
4-N-[3-(2-methyl-1,3-thiazol-5-yl)phenyl]-2-N-[3-(2-morpholin-4-ylethyl)phenyl]-5-pyrimidin-5-ylpyrimidine-2,4-diamine has a molecular weight of 550.69 g/mol, XLogP of 5.73, 9 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[3-(2-methyl-1,3-thiazol-5-yl)phenyl]-2-N-[3-(2-morpholin-4-ylethyl)phenyl]-5-pyrimidin-5-ylpyrimidine-2,4-diamine is sourced from PubChem (CID 25104656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).