N-tert-butyl-1-(2-cyclopropyl-6-methylpyrimidin-4-yl)azetidine-3-carboxamide

C16H24N4O — CID 166603155

IUPACN-tert-butyl-1-(2-cyclopropyl-6-methylpyrimidin-4-yl)azetidine-3-carboxamide
SMILESCc1cc(N2CC(C(=O)NC(C)(C)C)C2)nc(C2CC2)n1
InChIInChI=1S/C16H24N4O/c1-10-7-13(18-14(17-10)11-5-6-11)20-8-12(9-20)15(21)19-16(2,3)4/h7,11-12H,5-6,8-9H2,1-4H3,(H,19,21)
InChIKeyFLQHNEGIXKADQK-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.01
Rot. Bonds3

About N-tert-butyl-1-(2-cyclopropyl-6-methylpyrimidin-4-yl)azetidine-3-carboxamide

N-tert-butyl-1-(2-cyclopropyl-6-methylpyrimidin-4-yl)azetidine-3-carboxamide (PubChem CID 166603155) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is N-tert-butyl-1-(2-cyclopropyl-6-methylpyrimidin-4-yl)azetidine-3-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-1-(2-cyclopropyl-6-methylpyrimidin-4-yl)azetidine-3-carboxamide
PubChem CID166603155
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC NameN-tert-butyl-1-(2-cyclopropyl-6-methylpyrimidin-4-yl)azetidine-3-carboxamide
SMILESCc1cc(N2CC(C(=O)NC(C)(C)C)C2)nc(C2CC2)n1
InChIInChI=1S/C16H24N4O/c1-10-7-13(18-14(17-10)11-5-6-11)20-8-12(9-20)15(21)19-16(2,3)4/h7,11-12H,5-6,8-9H2,1-4H3,(H,19,21)
InChIKeyFLQHNEGIXKADQK-UHFFFAOYSA-N
XLogP2.01
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-1-(2-cyclopropyl-6-methylpyrimidin-4-yl)azetidine-3-carboxamide
CID 171328002
1-(2-cyclopropyl-6-methylpyrimidin-4-yl)azetidine-3-carboxylic acid
CID 122064509
N-[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperidin-4-yl]-2,2-dimethylpropanamide
CID 163348936
[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperidin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone
CID 163358156
N-tert-butyl-1-(3-cyano-4,6-dimethyl-2-pyridinyl)pyrrolidine-3-carboxamide
CID 155799749
N-tert-butyl-1-(6-tert-butylpyridazin-3-yl)azetidine-3-carboxamide
CID 165434484
N-tert-butyl-1-(6-cyclopropylpyrimidin-4-yl)piperidine-3-carboxamide
CID 165434399
1-[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperidin-3-yl]-1,3,3-trimethylurea
CID 166606133
3-[(2-cyclopropyl-6-methylpyrimidin-4-yl)amino]-2-hydroxy-2-methylpropanoic acid
CID 122060969
6-tert-butyl-2-[[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)azetidin-3-yl]methyl]pyridazin-3-one
CID 126927797
N-tert-butyl-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]azetidine-3-carboxamide
CID 121168311
N-tert-butyl-1-(6-phenylpyrimidin-4-yl)azetidine-3-carboxamide
CID 121168055

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-1-(2-cyclopropyl-6-methylpyrimidin-4-yl)azetidine-3-carboxamide?
The IUPAC name of N-tert-butyl-1-(2-cyclopropyl-6-methylpyrimidin-4-yl)azetidine-3-carboxamide (CID 166603155) is N-tert-butyl-1-(2-cyclopropyl-6-methylpyrimidin-4-yl)azetidine-3-carboxamide.
What is the SMILES notation for N-tert-butyl-1-(2-cyclopropyl-6-methylpyrimidin-4-yl)azetidine-3-carboxamide?
The canonical SMILES for N-tert-butyl-1-(2-cyclopropyl-6-methylpyrimidin-4-yl)azetidine-3-carboxamide is Cc1cc(N2CC(C(=O)NC(C)(C)C)C2)nc(C2CC2)n1.
What is the InChIKey of N-tert-butyl-1-(2-cyclopropyl-6-methylpyrimidin-4-yl)azetidine-3-carboxamide?
The InChIKey is FLQHNEGIXKADQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-10-7-13(18-14(17-10)11-5-6-11)20-8-12(9-20)15(21)19-16(2,3)4/h7,11-12H,5-6,8-9H2,1-4H3,(H,19,21).
What are the key properties of N-tert-butyl-1-(2-cyclopropyl-6-methylpyrimidin-4-yl)azetidine-3-carboxamide?
N-tert-butyl-1-(2-cyclopropyl-6-methylpyrimidin-4-yl)azetidine-3-carboxamide has a molecular weight of 288.39 g/mol, XLogP of 2.01, 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-(2-cyclopropyl-6-methylpyrimidin-4-yl)azetidine-3-carboxamide is sourced from PubChem (CID 166603155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).