N-(4-tert-butylphenyl)-3-(pyrimidin-2-ylamino)azetidine-1-carboxamide

C18H23N5O — CID 121187574

IUPACN-(4-tert-butylphenyl)-3-(pyrimidin-2-ylamino)azetidine-1-carboxamide
SMILESCC(C)(C)c1ccc(NC(=O)N2CC(Nc3ncccn3)C2)cc1
InChIInChI=1S/C18H23N5O/c1-18(2,3)13-5-7-14(8-6-13)22-17(24)23-11-15(12-23)21-16-19-9-4-10-20-16/h4-10,15H,11-12H2,1-3H3,(H,22,24)(H,19,20,21)
InChIKeyWMTLZOBTFLPVTL-UHFFFAOYSA-N
MW325.42 g/mol
LogP3.10
Rot. Bonds3

About N-(4-tert-butylphenyl)-3-(pyrimidin-2-ylamino)azetidine-1-carboxamide

N-(4-tert-butylphenyl)-3-(pyrimidin-2-ylamino)azetidine-1-carboxamide (PubChem CID 121187574) has the molecular formula C18H23N5O and a molecular weight of 325.42 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-3-(pyrimidin-2-ylamino)azetidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-3-(pyrimidin-2-ylamino)azetidine-1-carboxamide
PubChem CID121187574
Molecular FormulaC18H23N5O
Molecular Weight325.42 g/mol
Exact Mass325.19
IUPAC NameN-(4-tert-butylphenyl)-3-(pyrimidin-2-ylamino)azetidine-1-carboxamide
SMILESCC(C)(C)c1ccc(NC(=O)N2CC(Nc3ncccn3)C2)cc1
InChIInChI=1S/C18H23N5O/c1-18(2,3)13-5-7-14(8-6-13)22-17(24)23-11-15(12-23)21-16-19-9-4-10-20-16/h4-10,15H,11-12H2,1-3H3,(H,22,24)(H,19,20,21)
InChIKeyWMTLZOBTFLPVTL-UHFFFAOYSA-N
XLogP3.10
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-ethoxyphenyl)-3-(pyrimidin-2-ylamino)azetidine-1-carboxamide
CID 121187581
N-(4-tert-butylphenyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 108884869
N-(3,5-dimethoxyphenyl)-3-(pyrimidin-2-ylamino)azetidine-1-carboxamide
CID 121187588
(3S)-N-(4-tert-butylphenyl)-3-methyl-4-(3-methyl-2-pyridinyl)piperazine-1-carboxamide
CID 58665278
N-(4-tert-butylphenyl)-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-carboxamide
CID 122251071
methyl 4-[(4-tert-butylphenyl)carbamoyl]piperazine-1-carboxylate
CID 108884940
N-(4-tert-butylphenyl)-4-ethylpiperazine-1-carboxamide
CID 108884847
(2-chlorophenyl)-[3-(pyrimidin-2-ylamino)azetidin-1-yl]methanone
CID 121020964
N-(4-tert-butylphenyl)-4-(2,6-difluorophenyl)piperazine-1-carboxamide
CID 113112711
tert-butyl (3S)-3-(pyrimidin-2-ylamino)pyrrolidine-1-carboxylate
CID 71301820
N-(4-tert-butylphenyl)-4-(tert-butylsulfonylamino)piperidine-1-carboxamide
CID 20630756
N-(4-tert-butylphenyl)-N'-pyridin-2-yloxamide
CID 108525928

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-3-(pyrimidin-2-ylamino)azetidine-1-carboxamide?
The IUPAC name of N-(4-tert-butylphenyl)-3-(pyrimidin-2-ylamino)azetidine-1-carboxamide (CID 121187574) is N-(4-tert-butylphenyl)-3-(pyrimidin-2-ylamino)azetidine-1-carboxamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-3-(pyrimidin-2-ylamino)azetidine-1-carboxamide?
The canonical SMILES for N-(4-tert-butylphenyl)-3-(pyrimidin-2-ylamino)azetidine-1-carboxamide is CC(C)(C)c1ccc(NC(=O)N2CC(Nc3ncccn3)C2)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)-3-(pyrimidin-2-ylamino)azetidine-1-carboxamide?
The InChIKey is WMTLZOBTFLPVTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O/c1-18(2,3)13-5-7-14(8-6-13)22-17(24)23-11-15(12-23)21-16-19-9-4-10-20-16/h4-10,15H,11-12H2,1-3H3,(H,22,24)(H,19,20,21).
What are the key properties of N-(4-tert-butylphenyl)-3-(pyrimidin-2-ylamino)azetidine-1-carboxamide?
N-(4-tert-butylphenyl)-3-(pyrimidin-2-ylamino)azetidine-1-carboxamide has a molecular weight of 325.42 g/mol, XLogP of 3.10, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-3-(pyrimidin-2-ylamino)azetidine-1-carboxamide is sourced from PubChem (CID 121187574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).