N-[4-[[2-(4-acetylanilino)pyrimidin-4-yl]amino]phenyl]acetamide

C20H19N5O2 — CID 112905696

IUPACN-[4-[[2-(4-acetylanilino)pyrimidin-4-yl]amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Nc2ccnc(Nc3ccc(C(C)=O)cc3)n2)cc1
InChIInChI=1S/C20H19N5O2/c1-13(26)15-3-5-18(6-4-15)24-20-21-12-11-19(25-20)23-17-9-7-16(8-10-17)22-14(2)27/h3-12H,1-2H3,(H,22,27)(H2,21,23,24,25)
InChIKeyBUBCZMITZUHTRT-UHFFFAOYSA-N
MW361.41 g/mol
LogP4.12
Rot. Bonds6

About N-[4-[[2-(4-acetylanilino)pyrimidin-4-yl]amino]phenyl]acetamide

N-[4-[[2-(4-acetylanilino)pyrimidin-4-yl]amino]phenyl]acetamide (PubChem CID 112905696) has the molecular formula C20H19N5O2 and a molecular weight of 361.41 g/mol. Its IUPAC name is N-[4-[[2-(4-acetylanilino)pyrimidin-4-yl]amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[2-(4-acetylanilino)pyrimidin-4-yl]amino]phenyl]acetamide
PubChem CID112905696
Molecular FormulaC20H19N5O2
Molecular Weight361.41 g/mol
Exact Mass361.15
IUPAC NameN-[4-[[2-(4-acetylanilino)pyrimidin-4-yl]amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Nc2ccnc(Nc3ccc(C(C)=O)cc3)n2)cc1
InChIInChI=1S/C20H19N5O2/c1-13(26)15-3-5-18(6-4-15)24-20-21-12-11-19(25-20)23-17-9-7-16(8-10-17)22-14(2)27/h3-12H,1-2H3,(H,22,27)(H2,21,23,24,25)
InChIKeyBUBCZMITZUHTRT-UHFFFAOYSA-N
XLogP4.12
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 54.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-[[4-(4-bromoanilino)pyrimidin-2-yl]amino]phenyl]ethanone
CID 112904443
1-[4-[[4-(4-tert-butylanilino)pyrimidin-2-yl]amino]phenyl]ethanone
CID 112903389
N-[4-[[2-(pyrazin-2-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 117094486
1-[4-[(4-hydrazinylpyrimidin-2-yl)amino]phenyl]ethanone
CID 94672761
N-[4-[[4-(3,5-dichloroanilino)pyrimidin-2-yl]amino]phenyl]acetamide
CID 112905832
1-[4-[[2-(4-phenoxyanilino)pyrimidin-4-yl]amino]phenyl]ethanone
CID 112905673
1-[4-[[4-(4-propan-2-yloxyanilino)pyrimidin-2-yl]amino]phenyl]ethanone
CID 112905191
N-[4-[[2-(pyrimidin-4-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 117086885
1-[4-[[4-(2,6-diethylanilino)pyrimidin-2-yl]amino]phenyl]ethanone
CID 112903235
N-[4-[[2-(isoquinolin-1-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 117086853
N-[4-[[4-(3-chloroanilino)pyrimidin-2-yl]amino]phenyl]acetamide
CID 112903681
N-[4-[[4-(2,6-difluoroanilino)pyrimidin-2-yl]amino]phenyl]acetamide
CID 112905840

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(4-acetylanilino)pyrimidin-4-yl]amino]phenyl]acetamide?
The IUPAC name of N-[4-[[2-(4-acetylanilino)pyrimidin-4-yl]amino]phenyl]acetamide (CID 112905696) is N-[4-[[2-(4-acetylanilino)pyrimidin-4-yl]amino]phenyl]acetamide.
What is the SMILES notation for N-[4-[[2-(4-acetylanilino)pyrimidin-4-yl]amino]phenyl]acetamide?
The canonical SMILES for N-[4-[[2-(4-acetylanilino)pyrimidin-4-yl]amino]phenyl]acetamide is CC(=O)Nc1ccc(Nc2ccnc(Nc3ccc(C(C)=O)cc3)n2)cc1.
What is the InChIKey of N-[4-[[2-(4-acetylanilino)pyrimidin-4-yl]amino]phenyl]acetamide?
The InChIKey is BUBCZMITZUHTRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O2/c1-13(26)15-3-5-18(6-4-15)24-20-21-12-11-19(25-20)23-17-9-7-16(8-10-17)22-14(2)27/h3-12H,1-2H3,(H,22,27)(H2,21,23,24,25).
What are the key properties of N-[4-[[2-(4-acetylanilino)pyrimidin-4-yl]amino]phenyl]acetamide?
N-[4-[[2-(4-acetylanilino)pyrimidin-4-yl]amino]phenyl]acetamide has a molecular weight of 361.41 g/mol, XLogP of 4.12, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(4-acetylanilino)pyrimidin-4-yl]amino]phenyl]acetamide is sourced from PubChem (CID 112905696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).