2-[[4-chloro-6-(2,3-dimethylanilino)pyrimidin-2-yl]amino]acetamide

C14H16ClN5O — CID 54525988

IUPAC2-[[4-chloro-6-(2,3-dimethylanilino)pyrimidin-2-yl]amino]acetamide
SMILESCc1cccc(Nc2cc(Cl)nc(NCC(N)=O)n2)c1C
InChIInChI=1S/C14H16ClN5O/c1-8-4-3-5-10(9(8)2)18-13-6-11(15)19-14(20-13)17-7-12(16)21/h3-6H,7H2,1-2H3,(H2,16,21)(H2,17,18,19,20)
InChIKeyYTDMEWUWTYFDIZ-UHFFFAOYSA-N
MW305.77 g/mol
LogP2.39
Rot. Bonds5

About 2-[[4-chloro-6-(2,3-dimethylanilino)pyrimidin-2-yl]amino]acetamide

2-[[4-chloro-6-(2,3-dimethylanilino)pyrimidin-2-yl]amino]acetamide (PubChem CID 54525988) has the molecular formula C14H16ClN5O and a molecular weight of 305.77 g/mol. Its IUPAC name is 2-[[4-chloro-6-(2,3-dimethylanilino)pyrimidin-2-yl]amino]acetamide.

Molecular Properties

Compound Name2-[[4-chloro-6-(2,3-dimethylanilino)pyrimidin-2-yl]amino]acetamide
PubChem CID54525988
Molecular FormulaC14H16ClN5O
Molecular Weight305.77 g/mol
Exact Mass305.10
IUPAC Name2-[[4-chloro-6-(2,3-dimethylanilino)pyrimidin-2-yl]amino]acetamide
SMILESCc1cccc(Nc2cc(Cl)nc(NCC(N)=O)n2)c1C
InChIInChI=1S/C14H16ClN5O/c1-8-4-3-5-10(9(8)2)18-13-6-11(15)19-14(20-13)17-7-12(16)21/h3-6H,7H2,1-2H3,(H2,16,21)(H2,17,18,19,20)
InChIKeyYTDMEWUWTYFDIZ-UHFFFAOYSA-N
XLogP2.39
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.77
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-chloro-6-(2,3-dimethylanilino)pyrimidin-2-yl]sulfanylacetic acid
CID 5694
N-butyl-2-[4-chloro-6-(2,3-dimethylanilino)pyrimidin-2-yl]oxyacetamide
CID 54568461
N-(2,3-dimethylphenyl)-2-hydrazinylpyrimidin-4-amine
CID 80928362
4-N-(2,3-dimethylphenyl)-2-N-[(4-methoxyphenyl)methyl]-6-methylpyrimidine-2,4-diamine
CID 112918596
2-N-[2-(3-chlorophenyl)ethyl]-4-N-(2,3-dimethylphenyl)pyrimidine-2,4-diamine
CID 112901450
4-N-(3-chloro-2-methylphenyl)-2-N-ethyl-6-methylpyrimidine-2,4-diamine
CID 80762805
2-chloro-N-(2,3-dimethylphenyl)-6-hydrazinylpyridine-4-carboxamide
CID 62241615
N-[3-[[5-(2,3-dimethylanilino)-1,2,4-triazin-3-yl]amino]phenyl]acetamide
CID 112963852
2-cyclopropyl-4-N-(2,3-dimethylphenyl)-6-N-ethylpyrimidine-4,6-diamine
CID 80956506
4-N-(2,3-dimethylphenyl)-6-N,2-dimethylpyrimidine-4,6-diamine
CID 80761966
6-(2,3-dimethylanilino)-2-methyl-N-propylpyrimidine-4-carboxamide
CID 109360277
4-N-tert-butyl-6-N-(2,3-dimethylphenyl)-2-methylpyrimidine-4,6-diamine
CID 112875919

Frequently Asked Questions

What is the IUPAC name of 2-[[4-chloro-6-(2,3-dimethylanilino)pyrimidin-2-yl]amino]acetamide?
The IUPAC name of 2-[[4-chloro-6-(2,3-dimethylanilino)pyrimidin-2-yl]amino]acetamide (CID 54525988) is 2-[[4-chloro-6-(2,3-dimethylanilino)pyrimidin-2-yl]amino]acetamide.
What is the SMILES notation for 2-[[4-chloro-6-(2,3-dimethylanilino)pyrimidin-2-yl]amino]acetamide?
The canonical SMILES for 2-[[4-chloro-6-(2,3-dimethylanilino)pyrimidin-2-yl]amino]acetamide is Cc1cccc(Nc2cc(Cl)nc(NCC(N)=O)n2)c1C.
What is the InChIKey of 2-[[4-chloro-6-(2,3-dimethylanilino)pyrimidin-2-yl]amino]acetamide?
The InChIKey is YTDMEWUWTYFDIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN5O/c1-8-4-3-5-10(9(8)2)18-13-6-11(15)19-14(20-13)17-7-12(16)21/h3-6H,7H2,1-2H3,(H2,16,21)(H2,17,18,19,20).
What are the key properties of 2-[[4-chloro-6-(2,3-dimethylanilino)pyrimidin-2-yl]amino]acetamide?
2-[[4-chloro-6-(2,3-dimethylanilino)pyrimidin-2-yl]amino]acetamide has a molecular weight of 305.77 g/mol, XLogP of 2.39, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-chloro-6-(2,3-dimethylanilino)pyrimidin-2-yl]amino]acetamide is sourced from PubChem (CID 54525988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).