N-[4-[[4-(benzotriazol-1-yl)pyrimidin-2-yl]amino]cyclohexyl]acetamide

C18H21N7O — CID 24823814

IUPACN-[4-[[4-(benzotriazol-1-yl)pyrimidin-2-yl]amino]cyclohexyl]acetamide
SMILESCC(=O)NC1CCC(Nc2nccc(-n3nnc4ccccc43)n2)CC1
InChIInChI=1S/C18H21N7O/c1-12(26)20-13-6-8-14(9-7-13)21-18-19-11-10-17(22-18)25-16-5-3-2-4-15(16)23-24-25/h2-5,10-11,13-14H,6-9H2,1H3,(H,20,26)(H,19,21,22)
InChIKeyJANAZDXNIOBICQ-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.07
Rot. Bonds4

About N-[4-[[4-(benzotriazol-1-yl)pyrimidin-2-yl]amino]cyclohexyl]acetamide

N-[4-[[4-(benzotriazol-1-yl)pyrimidin-2-yl]amino]cyclohexyl]acetamide (PubChem CID 24823814) has the molecular formula C18H21N7O and a molecular weight of 351.41 g/mol. Its IUPAC name is N-[4-[[4-(benzotriazol-1-yl)pyrimidin-2-yl]amino]cyclohexyl]acetamide.

Molecular Properties

Compound NameN-[4-[[4-(benzotriazol-1-yl)pyrimidin-2-yl]amino]cyclohexyl]acetamide
PubChem CID24823814
Molecular FormulaC18H21N7O
Molecular Weight351.41 g/mol
Exact Mass351.18
IUPAC NameN-[4-[[4-(benzotriazol-1-yl)pyrimidin-2-yl]amino]cyclohexyl]acetamide
SMILESCC(=O)NC1CCC(Nc2nccc(-n3nnc4ccccc43)n2)CC1
InChIInChI=1S/C18H21N7O/c1-12(26)20-13-6-8-14(9-7-13)21-18-19-11-10-17(22-18)25-16-5-3-2-4-15(16)23-24-25/h2-5,10-11,13-14H,6-9H2,1H3,(H,20,26)(H,19,21,22)
InChIKeyJANAZDXNIOBICQ-UHFFFAOYSA-N
XLogP2.07
TPSA97.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4-((4-imidazo(1,2-a)pyridin-3-ylpyrimidin-2-yl)amino)piperidin-1-yl)-N-methylacetamide
CID 24801863
2,2-Dimethyl-3-[(4-{[2-Methyl-1-(Propan-2-Yl)-1h-Imidazo[4,5-C]pyridin-6-Yl]amino}pyrimidin-2-Yl)amino]propanamide
CID 76280903
(S)-1-ethyl-3-(1-(2-(1-phenylethylamino)pyrimidin-4-yl)-1H-benzo[d]imidazol-5-yl)imidazolidin-2-one
CID 18342784
1H-Benzimidazole-2-carboxamide, N-[3-[[6-(4,5-dihydro-1H-imidazol-2-yl)-3-pyridinyl]amino]-3-oxopropyl]-1-(phenylmethyl)-
CID 25105469
N-(1-(4-(5-fluoro-4-(1-isopropyl-2-methyl-1H-imidazol-5-yl)pyrimidin-2-ylamino)phenyl)azetidin-3-yl)acetamide
CID 44578692
N-((R)-1-(4-(5-fluoro-4-(1-isopropyl-2-methyl-1H-imidazol-5-yl)pyrimidin-2-ylamino)phenyl)pyrrolidin-3-yl)acetamide
CID 44578693
N-[3-[8-anilino-2-[4-(4-methylpiperazin-1-yl)anilino]purin-9-yl]phenyl]prop-2-enamide
CID 148201291
EGFR ligand-2
CID 162356156
1-[(3S)-3-[8-anilino-2-[4-(4-methylpiperazin-1-yl)anilino]purin-9-yl]pyrrolidin-1-yl]prop-2-en-1-one
CID 162356161
N-(1-phenylbenzimidazol-5-yl)acetamide
CID 739378
N-(1-phenyl-1H-benzimidazol-5-yl)propanamide
CID 948973
4-(4-{[2-{[(3s)-1-Acetylpyrrolidin-3-Yl]amino}-9-(Propan-2-Yl)-9h-Purin-6-Yl]amino}phenyl)-1-Methylpiperazin-1-Ium
CID 124222449

Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-(benzotriazol-1-yl)pyrimidin-2-yl]amino]cyclohexyl]acetamide?
The IUPAC name of N-[4-[[4-(benzotriazol-1-yl)pyrimidin-2-yl]amino]cyclohexyl]acetamide (CID 24823814) is N-[4-[[4-(benzotriazol-1-yl)pyrimidin-2-yl]amino]cyclohexyl]acetamide.
What is the SMILES notation for N-[4-[[4-(benzotriazol-1-yl)pyrimidin-2-yl]amino]cyclohexyl]acetamide?
The canonical SMILES for N-[4-[[4-(benzotriazol-1-yl)pyrimidin-2-yl]amino]cyclohexyl]acetamide is CC(=O)NC1CCC(Nc2nccc(-n3nnc4ccccc43)n2)CC1.
What is the InChIKey of N-[4-[[4-(benzotriazol-1-yl)pyrimidin-2-yl]amino]cyclohexyl]acetamide?
The InChIKey is JANAZDXNIOBICQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N7O/c1-12(26)20-13-6-8-14(9-7-13)21-18-19-11-10-17(22-18)25-16-5-3-2-4-15(16)23-24-25/h2-5,10-11,13-14H,6-9H2,1H3,(H,20,26)(H,19,21,22).
What are the key properties of N-[4-[[4-(benzotriazol-1-yl)pyrimidin-2-yl]amino]cyclohexyl]acetamide?
N-[4-[[4-(benzotriazol-1-yl)pyrimidin-2-yl]amino]cyclohexyl]acetamide has a molecular weight of 351.41 g/mol, XLogP of 2.07, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-(benzotriazol-1-yl)pyrimidin-2-yl]amino]cyclohexyl]acetamide is sourced from PubChem (CID 24823814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).