N-[4-(pyrimidin-2-ylamino)phenyl]acetamide

C12H12N4O — CID 123760459

IUPACN-[4-(pyrimidin-2-ylamino)phenyl]acetamide
SMILESCC(=O)Nc1ccc(Nc2ncccn2)cc1
InChIInChI=1S/C12H12N4O/c1-9(17)15-10-3-5-11(6-4-10)16-12-13-7-2-8-14-12/h2-8H,1H3,(H,15,17)(H,13,14,16)
InChIKeyYOTJNIQMEXAAIN-UHFFFAOYSA-N
MW228.25 g/mol
LogP2.18
Rot. Bonds3

About N-[4-(pyrimidin-2-ylamino)phenyl]acetamide

N-[4-(pyrimidin-2-ylamino)phenyl]acetamide (PubChem CID 123760459) has the molecular formula C12H12N4O and a molecular weight of 228.25 g/mol. Its IUPAC name is N-[4-(pyrimidin-2-ylamino)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-(pyrimidin-2-ylamino)phenyl]acetamide
PubChem CID123760459
Molecular FormulaC12H12N4O
Molecular Weight228.25 g/mol
Exact Mass228.10
IUPAC NameN-[4-(pyrimidin-2-ylamino)phenyl]acetamide
SMILESCC(=O)Nc1ccc(Nc2ncccn2)cc1
InChIInChI=1S/C12H12N4O/c1-9(17)15-10-3-5-11(6-4-10)16-12-13-7-2-8-14-12/h2-8H,1H3,(H,15,17)(H,13,14,16)
InChIKeyYOTJNIQMEXAAIN-UHFFFAOYSA-N
XLogP2.18
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[[4,6-bis(4-acetamidoanilino)-1,3,5-triazin-2-yl]amino]phenyl]acetamide
CID 11763127
2-(4-acetamidoanilino)-N-phenylpyrimidine-4-carboxamide
CID 109313556
N-[4-[[4-(4-acetamidoanilino)-6-(4-methylanilino)-1,3,5-triazin-2-yl]amino]phenyl]acetamide
CID 159166665
N-[4-[[2-(4-acetylanilino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 112905696
N-[4-[[4-(1,1-difluoroethyl)pyrimidin-2-yl]amino]phenyl]acetamide
CID 166358351
N-[4-[[4-(N-methylanilino)pyrimidin-2-yl]amino]phenyl]acetamide
CID 112902066
N-[4-[[4-(2,6-difluoroanilino)pyrimidin-2-yl]amino]phenyl]acetamide
CID 112905840
N-[4-[[4-(diethylamino)pyrimidin-2-yl]amino]phenyl]acetamide
CID 112899132
2-(4-acetamidoanilino)-N-(4-methylphenyl)pyrimidine-5-carboxamide
CID 109265724
N-(4-acetamidophenyl)-2-(4-acetylanilino)pyrimidine-5-carboxamide
CID 109270119
N-[4-[[4-(3,5-dichloroanilino)pyrimidin-2-yl]amino]phenyl]acetamide
CID 112905832
N-[4-[[4-(3-chloroanilino)pyrimidin-2-yl]amino]phenyl]acetamide
CID 112903681

Frequently Asked Questions

What is the IUPAC name of N-[4-(pyrimidin-2-ylamino)phenyl]acetamide?
The IUPAC name of N-[4-(pyrimidin-2-ylamino)phenyl]acetamide (CID 123760459) is N-[4-(pyrimidin-2-ylamino)phenyl]acetamide.
What is the SMILES notation for N-[4-(pyrimidin-2-ylamino)phenyl]acetamide?
The canonical SMILES for N-[4-(pyrimidin-2-ylamino)phenyl]acetamide is CC(=O)Nc1ccc(Nc2ncccn2)cc1.
What is the InChIKey of N-[4-(pyrimidin-2-ylamino)phenyl]acetamide?
The InChIKey is YOTJNIQMEXAAIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O/c1-9(17)15-10-3-5-11(6-4-10)16-12-13-7-2-8-14-12/h2-8H,1H3,(H,15,17)(H,13,14,16).
What are the key properties of N-[4-(pyrimidin-2-ylamino)phenyl]acetamide?
N-[4-(pyrimidin-2-ylamino)phenyl]acetamide has a molecular weight of 228.25 g/mol, XLogP of 2.18, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(pyrimidin-2-ylamino)phenyl]acetamide is sourced from PubChem (CID 123760459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).