N-tert-butyl-1-(6-phenylpyrimidin-4-yl)azetidine-3-carboxamide

C18H22N4O — CID 121168055

IUPACN-tert-butyl-1-(6-phenylpyrimidin-4-yl)azetidine-3-carboxamide
SMILESCC(C)(C)NC(=O)C1CN(c2cc(-c3ccccc3)ncn2)C1
InChIInChI=1S/C18H22N4O/c1-18(2,3)21-17(23)14-10-22(11-14)16-9-15(19-12-20-16)13-7-5-4-6-8-13/h4-9,12,14H,10-11H2,1-3H3,(H,21,23)
InChIKeyYIINDYRTFZKXED-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.49
Rot. Bonds3

About N-tert-butyl-1-(6-phenylpyrimidin-4-yl)azetidine-3-carboxamide

N-tert-butyl-1-(6-phenylpyrimidin-4-yl)azetidine-3-carboxamide (PubChem CID 121168055) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is N-tert-butyl-1-(6-phenylpyrimidin-4-yl)azetidine-3-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-1-(6-phenylpyrimidin-4-yl)azetidine-3-carboxamide
PubChem CID121168055
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC NameN-tert-butyl-1-(6-phenylpyrimidin-4-yl)azetidine-3-carboxamide
SMILESCC(C)(C)NC(=O)C1CN(c2cc(-c3ccccc3)ncn2)C1
InChIInChI=1S/C18H22N4O/c1-18(2,3)21-17(23)14-10-22(11-14)16-9-15(19-12-20-16)13-7-5-4-6-8-13/h4-9,12,14H,10-11H2,1-3H3,(H,21,23)
InChIKeyYIINDYRTFZKXED-UHFFFAOYSA-N
XLogP2.49
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methylsulfanylphenyl)-1-(6-phenylpyrimidin-4-yl)azetidine-3-carboxamide
CID 121018177
N-(4-fluorophenyl)-1-(6-phenylpyrimidin-4-yl)azetidine-3-carboxamide
CID 121168086
N-(5-methyl-1,3-thiazol-2-yl)-1-(6-phenylpyrimidin-4-yl)azetidine-3-carboxamide
CID 121168252
N-(3-methylsulfanylphenyl)-1-(6-phenylpyrimidin-4-yl)azetidine-3-carboxamide
CID 121168195
N-[(2-chlorophenyl)methyl]-1-(6-phenylpyrimidin-4-yl)azetidine-3-carboxamide
CID 121168149
N-(4-phenoxyphenyl)-1-(6-phenylpyrimidin-4-yl)azetidine-3-carboxamide
CID 121168173
N-(4-bromo-2-methylphenyl)-1-(6-phenylpyrimidin-4-yl)azetidine-3-carboxamide
CID 121168151
1-(6-phenylpyrimidin-4-yl)pyrrolidine-3-carboxylic acid
CID 102549329
N-(1,1-dioxothiolan-3-yl)-1-(6-phenylpyrimidin-4-yl)azetidine-3-carboxamide
CID 121018193
cyclopropyl-[4-[1-(6-phenylpyrimidin-4-yl)azetidine-3-carbonyl]piperazin-1-yl]methanone
CID 121018196
N-(5-chloro-2,4-disulfamoylphenyl)-1-(6-phenylpyrimidin-4-yl)azetidine-3-carboxamide
CID 121168230
N-tert-butyl-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]azetidine-3-carboxamide
CID 121168311

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-1-(6-phenylpyrimidin-4-yl)azetidine-3-carboxamide?
The IUPAC name of N-tert-butyl-1-(6-phenylpyrimidin-4-yl)azetidine-3-carboxamide (CID 121168055) is N-tert-butyl-1-(6-phenylpyrimidin-4-yl)azetidine-3-carboxamide.
What is the SMILES notation for N-tert-butyl-1-(6-phenylpyrimidin-4-yl)azetidine-3-carboxamide?
The canonical SMILES for N-tert-butyl-1-(6-phenylpyrimidin-4-yl)azetidine-3-carboxamide is CC(C)(C)NC(=O)C1CN(c2cc(-c3ccccc3)ncn2)C1.
What is the InChIKey of N-tert-butyl-1-(6-phenylpyrimidin-4-yl)azetidine-3-carboxamide?
The InChIKey is YIINDYRTFZKXED-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c1-18(2,3)21-17(23)14-10-22(11-14)16-9-15(19-12-20-16)13-7-5-4-6-8-13/h4-9,12,14H,10-11H2,1-3H3,(H,21,23).
What are the key properties of N-tert-butyl-1-(6-phenylpyrimidin-4-yl)azetidine-3-carboxamide?
N-tert-butyl-1-(6-phenylpyrimidin-4-yl)azetidine-3-carboxamide has a molecular weight of 310.40 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-1-(6-phenylpyrimidin-4-yl)azetidine-3-carboxamide is sourced from PubChem (CID 121168055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).