N-butan-2-yl-2-(4-phenoxyanilino)pyrimidine-5-carboxamide

C21H22N4O2 — CID 109248974

IUPACN-butan-2-yl-2-(4-phenoxyanilino)pyrimidine-5-carboxamide
SMILESCCC(C)NC(=O)c1cnc(Nc2ccc(Oc3ccccc3)cc2)nc1
InChIInChI=1S/C21H22N4O2/c1-3-15(2)24-20(26)16-13-22-21(23-14-16)25-17-9-11-19(12-10-17)27-18-7-5-4-6-8-18/h4-15H,3H2,1-2H3,(H,24,26)(H,22,23,25)
InChIKeyNFBHMZOLJBUWFO-UHFFFAOYSA-N
MW362.43 g/mol
LogP4.54
Rot. Bonds7

About N-butan-2-yl-2-(4-phenoxyanilino)pyrimidine-5-carboxamide

N-butan-2-yl-2-(4-phenoxyanilino)pyrimidine-5-carboxamide (PubChem CID 109248974) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is N-butan-2-yl-2-(4-phenoxyanilino)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-2-(4-phenoxyanilino)pyrimidine-5-carboxamide
PubChem CID109248974
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC NameN-butan-2-yl-2-(4-phenoxyanilino)pyrimidine-5-carboxamide
SMILESCCC(C)NC(=O)c1cnc(Nc2ccc(Oc3ccccc3)cc2)nc1
InChIInChI=1S/C21H22N4O2/c1-3-15(2)24-20(26)16-13-22-21(23-14-16)25-17-9-11-19(12-10-17)27-18-7-5-4-6-8-18/h4-15H,3H2,1-2H3,(H,24,26)(H,22,23,25)
InChIKeyNFBHMZOLJBUWFO-UHFFFAOYSA-N
XLogP4.54
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-butan-2-yl-2-(2-ethylanilino)pyrimidine-5-carboxamide
CID 109248917
N-[(2R)-butan-2-yl]-5-(4-phenoxyphenyl)pyridine-3-carboxamide
CID 93232609
N-butan-2-yl-4-(2-phenoxyethoxy)benzamide
CID 17137407
ethyl 4-[[5-(1-phenylethylcarbamoyl)pyrimidin-2-yl]amino]benzoate
CID 109256458
N-[(2S)-butan-2-yl]-6-[4-(ethylsulfonylamino)phenoxy]pyridine-3-carboxamide
CID 95089134
2-(3-methylbutylamino)-N-(4-phenoxyphenyl)pyrimidine-5-carboxamide
CID 109263592
N-[(2R)-butan-2-yl]-2-(4-phenoxyphenoxy)acetamide
CID 7611072
N-(2-methylpropyl)-2-(4-phenylmethoxyanilino)pyrimidine-5-carboxamide
CID 109248589
2-anilino-N-(2-methylpropyl)pyrimidine-5-carboxamide
CID 109248518
2-(4-tert-butylanilino)-N-propan-2-ylpyrimidine-5-carboxamide
CID 109246976
2-anilino-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyrimidine-5-carboxamide
CID 72843392
N-butan-2-yl-2-(2-methylpropylamino)pyrimidine-5-carboxamide
CID 109248625

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-(4-phenoxyanilino)pyrimidine-5-carboxamide?
The IUPAC name of N-butan-2-yl-2-(4-phenoxyanilino)pyrimidine-5-carboxamide (CID 109248974) is N-butan-2-yl-2-(4-phenoxyanilino)pyrimidine-5-carboxamide.
What is the SMILES notation for N-butan-2-yl-2-(4-phenoxyanilino)pyrimidine-5-carboxamide?
The canonical SMILES for N-butan-2-yl-2-(4-phenoxyanilino)pyrimidine-5-carboxamide is CCC(C)NC(=O)c1cnc(Nc2ccc(Oc3ccccc3)cc2)nc1.
What is the InChIKey of N-butan-2-yl-2-(4-phenoxyanilino)pyrimidine-5-carboxamide?
The InChIKey is NFBHMZOLJBUWFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-3-15(2)24-20(26)16-13-22-21(23-14-16)25-17-9-11-19(12-10-17)27-18-7-5-4-6-8-18/h4-15H,3H2,1-2H3,(H,24,26)(H,22,23,25).
What are the key properties of N-butan-2-yl-2-(4-phenoxyanilino)pyrimidine-5-carboxamide?
N-butan-2-yl-2-(4-phenoxyanilino)pyrimidine-5-carboxamide has a molecular weight of 362.43 g/mol, XLogP of 4.54, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-(4-phenoxyanilino)pyrimidine-5-carboxamide is sourced from PubChem (CID 109248974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).