6-ethyl-2-methyl-N-[2-(5-methylthiophen-2-yl)-2-morpholin-4-ylethyl]pyrimidin-4-amine

C18H26N4OS — CID 133460472

IUPAC6-ethyl-2-methyl-N-[2-(5-methylthiophen-2-yl)-2-morpholin-4-ylethyl]pyrimidin-4-amine
SMILESCCc1cc(NCC(c2ccc(C)s2)N2CCOCC2)nc(C)n1
InChIInChI=1S/C18H26N4OS/c1-4-15-11-18(21-14(3)20-15)19-12-16(17-6-5-13(2)24-17)22-7-9-23-10-8-22/h5-6,11,16H,4,7-10,12H2,1-3H3,(H,19,20,21)
InChIKeyDTRQKWLTYMPXPV-UHFFFAOYSA-N
MW346.50 g/mol
LogP3.20
Rot. Bonds6

About 6-ethyl-2-methyl-N-[2-(5-methylthiophen-2-yl)-2-morpholin-4-ylethyl]pyrimidin-4-amine

6-ethyl-2-methyl-N-[2-(5-methylthiophen-2-yl)-2-morpholin-4-ylethyl]pyrimidin-4-amine (PubChem CID 133460472) has the molecular formula C18H26N4OS and a molecular weight of 346.50 g/mol. Its IUPAC name is 6-ethyl-2-methyl-N-[2-(5-methylthiophen-2-yl)-2-morpholin-4-ylethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-ethyl-2-methyl-N-[2-(5-methylthiophen-2-yl)-2-morpholin-4-ylethyl]pyrimidin-4-amine
PubChem CID133460472
Molecular FormulaC18H26N4OS
Molecular Weight346.50 g/mol
Exact Mass346.18
IUPAC Name6-ethyl-2-methyl-N-[2-(5-methylthiophen-2-yl)-2-morpholin-4-ylethyl]pyrimidin-4-amine
SMILESCCc1cc(NCC(c2ccc(C)s2)N2CCOCC2)nc(C)n1
InChIInChI=1S/C18H26N4OS/c1-4-15-11-18(21-14(3)20-15)19-12-16(17-6-5-13(2)24-17)22-7-9-23-10-8-22/h5-6,11,16H,4,7-10,12H2,1-3H3,(H,19,20,21)
InChIKeyDTRQKWLTYMPXPV-UHFFFAOYSA-N
XLogP3.20
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.50
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(5-methylthiophen-2-yl)-2-morpholin-4-ylethyl]-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine
CID 86900419
2-(5-methylthiophen-2-yl)-2-morpholin-4-yl-N-(2H-triazol-4-ylmethyl)ethanamine
CID 154805489
(2S)-2-(5-methylthiophen-2-yl)-2-morpholin-4-yl-N-(pyridin-4-ylmethyl)ethanamine
CID 95751301
2-methyl-1-[2-(5-methylthiophen-2-yl)-2-morpholin-4-ylethyl]guanidine;hydroiodide
CID 111721914
1-ethyl-2-(2-methyl-2-morpholin-4-ylpropyl)-3-[2-(5-methylthiophen-2-yl)-2-morpholin-4-ylethyl]guanidine;hydroiodide
CID 111966292
2-[[6-(dimethylamino)-2-pyridinyl]methyl]-1-ethyl-3-[2-(5-methylthiophen-2-yl)-2-morpholin-4-ylethyl]guanidine;hydroiodide
CID 109406401
6-ethyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2-pyridin-2-ylpyrimidin-4-amine
CID 133290389
2-methyl-1-[2-(5-methylthiophen-2-yl)-2-morpholin-4-ylethyl]-3-pentylguanidine
CID 111966041
2-(2-methylpropyl)-1-[2-(5-methylthiophen-2-yl)-2-morpholin-4-ylethyl]guanidine
CID 111721957
N-[2-(5-methylthiophen-2-yl)-2-morpholin-4-ylethyl]-2-pyridin-3-ylquinazolin-4-amine
CID 86898790
N-[2-(5-methylthiophen-2-yl)-2-morpholin-4-ylethyl]-3-pyridin-2-ylpropanamide
CID 75424213
2-methyl-1-(2-methyl-2-morpholin-4-ylpropyl)-3-[2-(5-methylthiophen-2-yl)-2-morpholin-4-ylethyl]guanidine;hydroiodide
CID 111966294

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2-methyl-N-[2-(5-methylthiophen-2-yl)-2-morpholin-4-ylethyl]pyrimidin-4-amine?
The IUPAC name of 6-ethyl-2-methyl-N-[2-(5-methylthiophen-2-yl)-2-morpholin-4-ylethyl]pyrimidin-4-amine (CID 133460472) is 6-ethyl-2-methyl-N-[2-(5-methylthiophen-2-yl)-2-morpholin-4-ylethyl]pyrimidin-4-amine.
What is the SMILES notation for 6-ethyl-2-methyl-N-[2-(5-methylthiophen-2-yl)-2-morpholin-4-ylethyl]pyrimidin-4-amine?
The canonical SMILES for 6-ethyl-2-methyl-N-[2-(5-methylthiophen-2-yl)-2-morpholin-4-ylethyl]pyrimidin-4-amine is CCc1cc(NCC(c2ccc(C)s2)N2CCOCC2)nc(C)n1.
What is the InChIKey of 6-ethyl-2-methyl-N-[2-(5-methylthiophen-2-yl)-2-morpholin-4-ylethyl]pyrimidin-4-amine?
The InChIKey is DTRQKWLTYMPXPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4OS/c1-4-15-11-18(21-14(3)20-15)19-12-16(17-6-5-13(2)24-17)22-7-9-23-10-8-22/h5-6,11,16H,4,7-10,12H2,1-3H3,(H,19,20,21).
What are the key properties of 6-ethyl-2-methyl-N-[2-(5-methylthiophen-2-yl)-2-morpholin-4-ylethyl]pyrimidin-4-amine?
6-ethyl-2-methyl-N-[2-(5-methylthiophen-2-yl)-2-morpholin-4-ylethyl]pyrimidin-4-amine has a molecular weight of 346.50 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2-methyl-N-[2-(5-methylthiophen-2-yl)-2-morpholin-4-ylethyl]pyrimidin-4-amine is sourced from PubChem (CID 133460472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).