4-amino-N-(4-ethoxyphenyl)-2-thiomorpholin-4-ylpyrimidine-5-carboxamide

C17H21N5O2S — CID 53144022

IUPAC4-amino-N-(4-ethoxyphenyl)-2-thiomorpholin-4-ylpyrimidine-5-carboxamide
SMILESCCOc1ccc(NC(=O)c2cnc(N3CCSCC3)nc2N)cc1
InChIInChI=1S/C17H21N5O2S/c1-2-24-13-5-3-12(4-6-13)20-16(23)14-11-19-17(21-15(14)18)22-7-9-25-10-8-22/h3-6,11H,2,7-10H2,1H3,(H,20,23)(H2,18,19,21)
InChIKeyHPCFIFSYMIKCEP-UHFFFAOYSA-N
MW359.46 g/mol
LogP2.26
Rot. Bonds5

About 4-amino-N-(4-ethoxyphenyl)-2-thiomorpholin-4-ylpyrimidine-5-carboxamide

4-amino-N-(4-ethoxyphenyl)-2-thiomorpholin-4-ylpyrimidine-5-carboxamide (PubChem CID 53144022) has the molecular formula C17H21N5O2S and a molecular weight of 359.46 g/mol. Its IUPAC name is 4-amino-N-(4-ethoxyphenyl)-2-thiomorpholin-4-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-(4-ethoxyphenyl)-2-thiomorpholin-4-ylpyrimidine-5-carboxamide
PubChem CID53144022
Molecular FormulaC17H21N5O2S
Molecular Weight359.46 g/mol
Exact Mass359.14
IUPAC Name4-amino-N-(4-ethoxyphenyl)-2-thiomorpholin-4-ylpyrimidine-5-carboxamide
SMILESCCOc1ccc(NC(=O)c2cnc(N3CCSCC3)nc2N)cc1
InChIInChI=1S/C17H21N5O2S/c1-2-24-13-5-3-12(4-6-13)20-16(23)14-11-19-17(21-15(14)18)22-7-9-25-10-8-22/h3-6,11H,2,7-10H2,1H3,(H,20,23)(H2,18,19,21)
InChIKeyHPCFIFSYMIKCEP-UHFFFAOYSA-N
XLogP2.26
TPSA93.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.46
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-amino-2-(azepan-1-yl)-N-(4-ethoxyphenyl)pyrimidine-5-carboxamide
CID 53490821
4-amino-N-(4-ethoxyphenyl)-2-(4-piperidin-1-ylpiperidin-1-yl)pyrimidine-5-carboxamide
CID 53336252
4-amino-N-(4-ethoxyphenyl)-2-(3-methylpiperidin-1-yl)pyrimidine-5-carboxamide
CID 53490819
4-amino-2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(4-methoxyphenyl)pyrimidine-5-carboxamide
CID 53144015
4-amino-2-(4-ethylpiperazin-1-yl)-N-phenylpyrimidine-5-carboxamide
CID 53143924
4-amino-N-phenyl-2-piperidin-1-ylpyrimidine-5-carboxamide
CID 53336276
4-amino-2-[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]-N-(4-methoxyphenyl)pyrimidine-5-carboxamide
CID 172594354
ethyl 4-methyl-2-thiomorpholin-4-ylpyrimidine-5-carboxylate
CID 46397674
N-(4-ethoxyphenyl)-6-methyl-4-thiomorpholin-4-ylpyrazolo[1,5-a]pyrazine-2-carboxamide
CID 91908347
5-amino-N-(4-ethoxyphenyl)-2-methylpyridine-3-carboxamide
CID 61040186
[2-(4-ethoxyanilino)-2-oxoethyl] 4-(methoxymethyl)-2-morpholin-4-ylpyrimidine-5-carboxylate
CID 75538628
1-(4-ethoxyphenyl)-1-ethyl-3-(4-thiomorpholin-4-ylphenyl)urea
CID 154759649

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(4-ethoxyphenyl)-2-thiomorpholin-4-ylpyrimidine-5-carboxamide?
The IUPAC name of 4-amino-N-(4-ethoxyphenyl)-2-thiomorpholin-4-ylpyrimidine-5-carboxamide (CID 53144022) is 4-amino-N-(4-ethoxyphenyl)-2-thiomorpholin-4-ylpyrimidine-5-carboxamide.
What is the SMILES notation for 4-amino-N-(4-ethoxyphenyl)-2-thiomorpholin-4-ylpyrimidine-5-carboxamide?
The canonical SMILES for 4-amino-N-(4-ethoxyphenyl)-2-thiomorpholin-4-ylpyrimidine-5-carboxamide is CCOc1ccc(NC(=O)c2cnc(N3CCSCC3)nc2N)cc1.
What is the InChIKey of 4-amino-N-(4-ethoxyphenyl)-2-thiomorpholin-4-ylpyrimidine-5-carboxamide?
The InChIKey is HPCFIFSYMIKCEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2S/c1-2-24-13-5-3-12(4-6-13)20-16(23)14-11-19-17(21-15(14)18)22-7-9-25-10-8-22/h3-6,11H,2,7-10H2,1H3,(H,20,23)(H2,18,19,21).
What are the key properties of 4-amino-N-(4-ethoxyphenyl)-2-thiomorpholin-4-ylpyrimidine-5-carboxamide?
4-amino-N-(4-ethoxyphenyl)-2-thiomorpholin-4-ylpyrimidine-5-carboxamide has a molecular weight of 359.46 g/mol, XLogP of 2.26, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(4-ethoxyphenyl)-2-thiomorpholin-4-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 53144022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).