2-(4-ethoxyanilino)-6-methyl-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide

C20H27N5O3 — CID 109325380

IUPAC2-(4-ethoxyanilino)-6-methyl-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide
SMILESCCOc1ccc(Nc2nc(C)cc(C(=O)NCCN3CCOCC3)n2)cc1
InChIInChI=1S/C20H27N5O3/c1-3-28-17-6-4-16(5-7-17)23-20-22-15(2)14-18(24-20)19(26)21-8-9-25-10-12-27-13-11-25/h4-7,14H,3,8-13H2,1-2H3,(H,21,26)(H,22,23,24)
InChIKeyQNPACWYTLNKGBQ-UHFFFAOYSA-N
MW385.47 g/mol
LogP1.99
Rot. Bonds8

About 2-(4-ethoxyanilino)-6-methyl-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide

2-(4-ethoxyanilino)-6-methyl-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide (PubChem CID 109325380) has the molecular formula C20H27N5O3 and a molecular weight of 385.47 g/mol. Its IUPAC name is 2-(4-ethoxyanilino)-6-methyl-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(4-ethoxyanilino)-6-methyl-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide
PubChem CID109325380
Molecular FormulaC20H27N5O3
Molecular Weight385.47 g/mol
Exact Mass385.21
IUPAC Name2-(4-ethoxyanilino)-6-methyl-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide
SMILESCCOc1ccc(Nc2nc(C)cc(C(=O)NCCN3CCOCC3)n2)cc1
InChIInChI=1S/C20H27N5O3/c1-3-28-17-6-4-16(5-7-17)23-20-22-15(2)14-18(24-20)19(26)21-8-9-25-10-12-27-13-11-25/h4-7,14H,3,8-13H2,1-2H3,(H,21,26)(H,22,23,24)
InChIKeyQNPACWYTLNKGBQ-UHFFFAOYSA-N
XLogP1.99
TPSA88.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4-chloroanilino)-6-methyl-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide
CID 109325370
N-(2-morpholin-4-ylethyl)-2-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 109301644
N-[2-(4-methoxyphenyl)ethyl]-6-methyl-2-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide
CID 109325216
2-(3-chloro-2-methylanilino)-6-methyl-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide
CID 109325371
4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(3-morpholin-4-ylpropyl)benzamide
CID 71708502
N-benzyl-2-(4-ethoxyanilino)-6-methylpyrimidine-4-carboxamide
CID 109327296
2-(4-ethoxyanilino)-6-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109335167
2-(4-ethoxyanilino)-N-[(4-fluorophenyl)methyl]-6-methylpyrimidine-4-carboxamide
CID 109328794
2-(diethylamino)-6-methyl-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide
CID 109325331
2-(4-ethoxyanilino)-6-methyl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
CID 109330057
N-(2-methoxyethyl)-6-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidine-4-carboxamide
CID 109323814
6-methyl-2-(2-morpholin-4-ylethylamino)-N-propan-2-ylpyrimidine-4-carboxamide
CID 109319463

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyanilino)-6-methyl-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-(4-ethoxyanilino)-6-methyl-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide (CID 109325380) is 2-(4-ethoxyanilino)-6-methyl-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(4-ethoxyanilino)-6-methyl-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-(4-ethoxyanilino)-6-methyl-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide is CCOc1ccc(Nc2nc(C)cc(C(=O)NCCN3CCOCC3)n2)cc1.
What is the InChIKey of 2-(4-ethoxyanilino)-6-methyl-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide?
The InChIKey is QNPACWYTLNKGBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O3/c1-3-28-17-6-4-16(5-7-17)23-20-22-15(2)14-18(24-20)19(26)21-8-9-25-10-12-27-13-11-25/h4-7,14H,3,8-13H2,1-2H3,(H,21,26)(H,22,23,24).
What are the key properties of 2-(4-ethoxyanilino)-6-methyl-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide?
2-(4-ethoxyanilino)-6-methyl-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide has a molecular weight of 385.47 g/mol, XLogP of 1.99, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyanilino)-6-methyl-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109325380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).