6-(4-acetamidoanilino)-N-butan-2-ylpyrimidine-4-carboxamide

C17H21N5O2 — CID 109340900

IUPAC6-(4-acetamidoanilino)-N-butan-2-ylpyrimidine-4-carboxamide
SMILESCCC(C)NC(=O)c1cc(Nc2ccc(NC(C)=O)cc2)ncn1
InChIInChI=1S/C17H21N5O2/c1-4-11(2)20-17(24)15-9-16(19-10-18-15)22-14-7-5-13(6-8-14)21-12(3)23/h5-11H,4H2,1-3H3,(H,20,24)(H,21,23)(H,18,19,22)
InChIKeyHCEWNTMWIRPUQF-UHFFFAOYSA-N
MW327.39 g/mol
LogP2.71
Rot. Bonds6

About 6-(4-acetamidoanilino)-N-butan-2-ylpyrimidine-4-carboxamide

6-(4-acetamidoanilino)-N-butan-2-ylpyrimidine-4-carboxamide (PubChem CID 109340900) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is 6-(4-acetamidoanilino)-N-butan-2-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(4-acetamidoanilino)-N-butan-2-ylpyrimidine-4-carboxamide
PubChem CID109340900
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC Name6-(4-acetamidoanilino)-N-butan-2-ylpyrimidine-4-carboxamide
SMILESCCC(C)NC(=O)c1cc(Nc2ccc(NC(C)=O)cc2)ncn1
InChIInChI=1S/C17H21N5O2/c1-4-11(2)20-17(24)15-9-16(19-10-18-15)22-14-7-5-13(6-8-14)21-12(3)23/h5-11H,4H2,1-3H3,(H,20,24)(H,21,23)(H,18,19,22)
InChIKeyHCEWNTMWIRPUQF-UHFFFAOYSA-N
XLogP2.71
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

6-(3-bromoanilino)-N-butan-2-ylpyrimidine-4-carboxamide
CID 109340918
N-butan-2-yl-6-(2-methylanilino)pyrimidine-4-carboxamide
CID 109340845
6-(4-acetamidoanilino)-N-(2,4,6-trimethylphenyl)pyrimidine-4-carboxamide
CID 109357704
6-(4-acetamidoanilino)-N-(3,4-dimethylphenyl)pyrimidine-4-carboxamide
CID 109356977
N-(4-acetylphenyl)-6-(butan-2-ylamino)pyrimidine-4-carboxamide
CID 109340711
N-butan-2-yl-6-(5-chloro-2-methylanilino)pyrimidine-4-carboxamide
CID 109340874
N-butan-2-yl-6-(2-methoxy-5-methylanilino)pyrimidine-4-carboxamide
CID 109340888
N-butan-2-yl-6-(2-methyl-6-propan-2-ylanilino)pyrimidine-4-carboxamide
CID 109340865
methyl 2-[[6-(butan-2-ylcarbamoyl)pyrimidin-4-yl]amino]benzoate
CID 109340901
6-(4-acetamidoanilino)-N-(2-ethyl-6-methylphenyl)pyrimidine-4-carboxamide
CID 109357545
4-acetamido-N-butan-2-ylbenzamide
CID 4540233
N-[4-[[6-(4-acetylpiperazine-1-carbonyl)pyrimidin-4-yl]amino]phenyl]acetamide
CID 109346095

Frequently Asked Questions

What is the IUPAC name of 6-(4-acetamidoanilino)-N-butan-2-ylpyrimidine-4-carboxamide?
The IUPAC name of 6-(4-acetamidoanilino)-N-butan-2-ylpyrimidine-4-carboxamide (CID 109340900) is 6-(4-acetamidoanilino)-N-butan-2-ylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-(4-acetamidoanilino)-N-butan-2-ylpyrimidine-4-carboxamide?
The canonical SMILES for 6-(4-acetamidoanilino)-N-butan-2-ylpyrimidine-4-carboxamide is CCC(C)NC(=O)c1cc(Nc2ccc(NC(C)=O)cc2)ncn1.
What is the InChIKey of 6-(4-acetamidoanilino)-N-butan-2-ylpyrimidine-4-carboxamide?
The InChIKey is HCEWNTMWIRPUQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2/c1-4-11(2)20-17(24)15-9-16(19-10-18-15)22-14-7-5-13(6-8-14)21-12(3)23/h5-11H,4H2,1-3H3,(H,20,24)(H,21,23)(H,18,19,22).
What are the key properties of 6-(4-acetamidoanilino)-N-butan-2-ylpyrimidine-4-carboxamide?
6-(4-acetamidoanilino)-N-butan-2-ylpyrimidine-4-carboxamide has a molecular weight of 327.39 g/mol, XLogP of 2.71, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-acetamidoanilino)-N-butan-2-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 109340900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).