2-ethyl-N-[4-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]butanamide

C21H29N5O — CID 121090365

IUPAC2-ethyl-N-[4-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]butanamide
SMILESCCC(CC)C(=O)Nc1ccc(Nc2cc(C)nc(N3CCCC3)n2)cc1
InChIInChI=1S/C21H29N5O/c1-4-16(5-2)20(27)24-18-10-8-17(9-11-18)23-19-14-15(3)22-21(25-19)26-12-6-7-13-26/h8-11,14,16H,4-7,12-13H2,1-3H3,(H,24,27)(H,22,23,25)
InChIKeyJFKBAYFZGJPEHG-UHFFFAOYSA-N
MW367.50 g/mol
LogP4.50
Rot. Bonds7

About 2-ethyl-N-[4-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]butanamide

2-ethyl-N-[4-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]butanamide (PubChem CID 121090365) has the molecular formula C21H29N5O and a molecular weight of 367.50 g/mol. Its IUPAC name is 2-ethyl-N-[4-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]butanamide.

Molecular Properties

Compound Name2-ethyl-N-[4-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]butanamide
PubChem CID121090365
Molecular FormulaC21H29N5O
Molecular Weight367.50 g/mol
Exact Mass367.24
IUPAC Name2-ethyl-N-[4-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]butanamide
SMILESCCC(CC)C(=O)Nc1ccc(Nc2cc(C)nc(N3CCCC3)n2)cc1
InChIInChI=1S/C21H29N5O/c1-4-16(5-2)20(27)24-18-10-8-17(9-11-18)23-19-14-15(3)22-21(25-19)26-12-6-7-13-26/h8-11,14,16H,4-7,12-13H2,1-3H3,(H,24,27)(H,22,23,25)
InChIKeyJFKBAYFZGJPEHG-UHFFFAOYSA-N
XLogP4.50
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.50
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]propanamide
CID 53047890
3,5-dimethyl-N-[4-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]benzamide
CID 121090382
4-N,4-N-diethyl-1-N-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)benzene-1,4-diamine
CID 112909556
1-[4-[4-methyl-6-(4-pyrrolidin-1-ylanilino)pyrimidin-2-yl]piperazin-1-yl]ethanone
CID 112915082
1-(3,5-difluorophenyl)-3-[4-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]urea
CID 53048053
2-(4-methoxyphenyl)-N-[4-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]acetamide
CID 121090418
2-(4-methyl-6-oxopyrimidin-1-yl)-N-[4-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]acetamide
CID 122295755
1-(3-fluoro-4-methylphenyl)-3-[4-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]urea
CID 53048031
2-(4-methoxyphenoxy)-N-[4-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]acetamide
CID 122295632
N-[4-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]-2-phenoxyacetamide
CID 121090371
1-methyl-N-[4-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]-6-oxopyridazine-3-carboxamide
CID 122295615
6-methyl-N-(4-piperidin-1-ylphenyl)-2-pyrrolidin-1-ylpyrimidin-4-amine
CID 112909558

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[4-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]butanamide?
The IUPAC name of 2-ethyl-N-[4-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]butanamide (CID 121090365) is 2-ethyl-N-[4-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]butanamide.
What is the SMILES notation for 2-ethyl-N-[4-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]butanamide?
The canonical SMILES for 2-ethyl-N-[4-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]butanamide is CCC(CC)C(=O)Nc1ccc(Nc2cc(C)nc(N3CCCC3)n2)cc1.
What is the InChIKey of 2-ethyl-N-[4-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]butanamide?
The InChIKey is JFKBAYFZGJPEHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O/c1-4-16(5-2)20(27)24-18-10-8-17(9-11-18)23-19-14-15(3)22-21(25-19)26-12-6-7-13-26/h8-11,14,16H,4-7,12-13H2,1-3H3,(H,24,27)(H,22,23,25).
What are the key properties of 2-ethyl-N-[4-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]butanamide?
2-ethyl-N-[4-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]butanamide has a molecular weight of 367.50 g/mol, XLogP of 4.50, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[4-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]butanamide is sourced from PubChem (CID 121090365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).