4-ethyl-N-(2-methyl-1-thiophen-2-ylpropyl)-2-morpholin-4-ylpyrimidine-5-carboxamide

C19H26N4O2S — CID 46964047

IUPAC4-ethyl-N-(2-methyl-1-thiophen-2-ylpropyl)-2-morpholin-4-ylpyrimidine-5-carboxamide
SMILESCCc1nc(N2CCOCC2)ncc1C(=O)NC(c1cccs1)C(C)C
InChIInChI=1S/C19H26N4O2S/c1-4-15-14(12-20-19(21-15)23-7-9-25-10-8-23)18(24)22-17(13(2)3)16-6-5-11-26-16/h5-6,11-13,17H,4,7-10H2,1-3H3,(H,22,24)
InChIKeyBIZNFNUZACDJBX-UHFFFAOYSA-N
MW374.51 g/mol
LogP3.06
Rot. Bonds6

About 4-ethyl-N-(2-methyl-1-thiophen-2-ylpropyl)-2-morpholin-4-ylpyrimidine-5-carboxamide

4-ethyl-N-(2-methyl-1-thiophen-2-ylpropyl)-2-morpholin-4-ylpyrimidine-5-carboxamide (PubChem CID 46964047) has the molecular formula C19H26N4O2S and a molecular weight of 374.51 g/mol. Its IUPAC name is 4-ethyl-N-(2-methyl-1-thiophen-2-ylpropyl)-2-morpholin-4-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-(2-methyl-1-thiophen-2-ylpropyl)-2-morpholin-4-ylpyrimidine-5-carboxamide
PubChem CID46964047
Molecular FormulaC19H26N4O2S
Molecular Weight374.51 g/mol
Exact Mass374.18
IUPAC Name4-ethyl-N-(2-methyl-1-thiophen-2-ylpropyl)-2-morpholin-4-ylpyrimidine-5-carboxamide
SMILESCCc1nc(N2CCOCC2)ncc1C(=O)NC(c1cccs1)C(C)C
InChIInChI=1S/C19H26N4O2S/c1-4-15-14(12-20-19(21-15)23-7-9-25-10-8-23)18(24)22-17(13(2)3)16-6-5-11-26-16/h5-6,11-13,17H,4,7-10H2,1-3H3,(H,22,24)
InChIKeyBIZNFNUZACDJBX-UHFFFAOYSA-N
XLogP3.06
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-(2-methyl-1-thiophen-2-ylpropyl)-2-morpholin-4-ylpyrimidine-5-carboxamide?
The IUPAC name of 4-ethyl-N-(2-methyl-1-thiophen-2-ylpropyl)-2-morpholin-4-ylpyrimidine-5-carboxamide (CID 46964047) is 4-ethyl-N-(2-methyl-1-thiophen-2-ylpropyl)-2-morpholin-4-ylpyrimidine-5-carboxamide.
What is the SMILES notation for 4-ethyl-N-(2-methyl-1-thiophen-2-ylpropyl)-2-morpholin-4-ylpyrimidine-5-carboxamide?
The canonical SMILES for 4-ethyl-N-(2-methyl-1-thiophen-2-ylpropyl)-2-morpholin-4-ylpyrimidine-5-carboxamide is CCc1nc(N2CCOCC2)ncc1C(=O)NC(c1cccs1)C(C)C.
What is the InChIKey of 4-ethyl-N-(2-methyl-1-thiophen-2-ylpropyl)-2-morpholin-4-ylpyrimidine-5-carboxamide?
The InChIKey is BIZNFNUZACDJBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2S/c1-4-15-14(12-20-19(21-15)23-7-9-25-10-8-23)18(24)22-17(13(2)3)16-6-5-11-26-16/h5-6,11-13,17H,4,7-10H2,1-3H3,(H,22,24).
What are the key properties of 4-ethyl-N-(2-methyl-1-thiophen-2-ylpropyl)-2-morpholin-4-ylpyrimidine-5-carboxamide?
4-ethyl-N-(2-methyl-1-thiophen-2-ylpropyl)-2-morpholin-4-ylpyrimidine-5-carboxamide has a molecular weight of 374.51 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-(2-methyl-1-thiophen-2-ylpropyl)-2-morpholin-4-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 46964047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).