N-[4-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]phenyl]-2-ethylbutanamide

C19H26N4O2 — CID 42474406

IUPACN-[4-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]phenyl]-2-ethylbutanamide
SMILESCCOc1cc(Nc2ccc(NC(=O)C(CC)CC)cc2)nc(C)n1
InChIInChI=1S/C19H26N4O2/c1-5-14(6-2)19(24)23-16-10-8-15(9-11-16)22-17-12-18(25-7-3)21-13(4)20-17/h8-12,14H,5-7H2,1-4H3,(H,23,24)(H,20,21,22)
InChIKeyMOXNLTIJLZPDCV-UHFFFAOYSA-N
MW342.44 g/mol
LogP4.30
Rot. Bonds8

About N-[4-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]phenyl]-2-ethylbutanamide

N-[4-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]phenyl]-2-ethylbutanamide (PubChem CID 42474406) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is N-[4-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]phenyl]-2-ethylbutanamide.

Molecular Properties

Compound NameN-[4-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]phenyl]-2-ethylbutanamide
PubChem CID42474406
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC NameN-[4-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]phenyl]-2-ethylbutanamide
SMILESCCOc1cc(Nc2ccc(NC(=O)C(CC)CC)cc2)nc(C)n1
InChIInChI=1S/C19H26N4O2/c1-5-14(6-2)19(24)23-16-10-8-15(9-11-16)22-17-12-18(25-7-3)21-13(4)20-17/h8-12,14H,5-7H2,1-4H3,(H,23,24)(H,20,21,22)
InChIKeyMOXNLTIJLZPDCV-UHFFFAOYSA-N
XLogP4.30
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]phenyl]-3-phenylurea
CID 42474616
1-(4-chlorophenyl)-3-[4-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]phenyl]urea
CID 42474625
4-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]benzoic acid
CID 66331884
N-[4-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]phenyl]-2-fluorobenzamide
CID 42474427
2-chloro-N-[4-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]phenyl]-4-fluorobenzamide
CID 42474455
2-chloro-5-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]benzoic acid
CID 66333309
1-(2-ethoxyphenyl)-3-[4-[(2-methyl-6-propoxypyrimidin-4-yl)amino]phenyl]urea
CID 42474648
N-[4-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]phenyl]-3-(trifluoromethyl)benzamide
CID 42474443
2-ethyl-N-[4-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]butanamide
CID 121090365
N-[4-[(2-methyl-6-propan-2-yloxypyrimidin-4-yl)amino]phenyl]acetamide
CID 42065449
2,6-difluoro-N-[4-[(2-methyl-6-propoxypyrimidin-4-yl)amino]phenyl]benzamide
CID 42065448
1-[4-[[6-(4-ethoxyanilino)-2-methylpyrimidin-4-yl]amino]phenyl]ethanone
CID 112878488

Frequently Asked Questions

What is the IUPAC name of N-[4-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]phenyl]-2-ethylbutanamide?
The IUPAC name of N-[4-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]phenyl]-2-ethylbutanamide (CID 42474406) is N-[4-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]phenyl]-2-ethylbutanamide.
What is the SMILES notation for N-[4-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]phenyl]-2-ethylbutanamide?
The canonical SMILES for N-[4-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]phenyl]-2-ethylbutanamide is CCOc1cc(Nc2ccc(NC(=O)C(CC)CC)cc2)nc(C)n1.
What is the InChIKey of N-[4-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]phenyl]-2-ethylbutanamide?
The InChIKey is MOXNLTIJLZPDCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-5-14(6-2)19(24)23-16-10-8-15(9-11-16)22-17-12-18(25-7-3)21-13(4)20-17/h8-12,14H,5-7H2,1-4H3,(H,23,24)(H,20,21,22).
What are the key properties of N-[4-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]phenyl]-2-ethylbutanamide?
N-[4-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]phenyl]-2-ethylbutanamide has a molecular weight of 342.44 g/mol, XLogP of 4.30, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]phenyl]-2-ethylbutanamide is sourced from PubChem (CID 42474406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).