N-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)butyl]-4,6-dimethylpyrimidine-5-carboxamide

C18H28N4O3 — CID 86629513

IUPACN-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)butyl]-4,6-dimethylpyrimidine-5-carboxamide
SMILESCc1ncnc(C)c1C(=O)NCCC(C)N1CCC2(CC1)OCCO2
InChIInChI=1S/C18H28N4O3/c1-13(22-8-5-18(6-9-22)24-10-11-25-18)4-7-19-17(23)16-14(2)20-12-21-15(16)3/h12-13H,4-11H2,1-3H3,(H,19,23)
InChIKeyQFYUSMSZLAMTAD-UHFFFAOYSA-N
MW348.45 g/mol
LogP1.44
Rot. Bonds5

About N-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)butyl]-4,6-dimethylpyrimidine-5-carboxamide

N-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)butyl]-4,6-dimethylpyrimidine-5-carboxamide (PubChem CID 86629513) has the molecular formula C18H28N4O3 and a molecular weight of 348.45 g/mol. Its IUPAC name is N-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)butyl]-4,6-dimethylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)butyl]-4,6-dimethylpyrimidine-5-carboxamide
PubChem CID86629513
Molecular FormulaC18H28N4O3
Molecular Weight348.45 g/mol
Exact Mass348.22
IUPAC NameN-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)butyl]-4,6-dimethylpyrimidine-5-carboxamide
SMILESCc1ncnc(C)c1C(=O)NCCC(C)N1CCC2(CC1)OCCO2
InChIInChI=1S/C18H28N4O3/c1-13(22-8-5-18(6-9-22)24-10-11-25-18)4-7-19-17(23)16-14(2)20-12-21-15(16)3/h12-13H,4-11H2,1-3H3,(H,19,23)
InChIKeyQFYUSMSZLAMTAD-UHFFFAOYSA-N
XLogP1.44
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)butyl]-4,6-dimethylpyrimidine-5-carboxamide with MolForge

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Related Compounds

N-[(3R)-3-[4-[(5R)-3-cyclohexyl-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]butyl]-4,6-dimethylpyrimidine-5-carboxamide
CID 72713860
N-[3-[4-(3-cyclohexyl-2-oxo-5-thiophen-3-ylimidazolidin-1-yl)piperidin-1-yl]butyl]-4,6-dimethylpyrimidine-5-carboxamide
CID 72713858
6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-methylpropyl)pyrimidine-4-carboxamide
CID 109340435
N-[3-[4-(3-cyclohexyl-2-oxo-5-pyridin-3-ylimidazolidin-1-yl)piperidin-1-yl]butyl]-4,6-dimethylpyrimidine-5-carboxamide
CID 72711279
N-[(3R)-3-[4-[4-methoxy-N-[(4-methyl-3-pyridinyl)methyl]anilino]piperidin-1-yl]butyl]-4,6-dimethylpyrimidine-5-carboxamide
CID 44511967
6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(3-methylbutyl)pyridazine-3-carboxamide
CID 109123501
4,6-dimethyl-N-(2-methylpropyl)pyrimidine-5-carboxamide
CID 110848394
N-(3-morpholin-4-ylbutyl)pyridazine-4-carboxamide
CID 91307914
2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-propylpyrimidine-5-carboxamide
CID 109246524
N-(3-methylbutyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
CID 110299714
methyl 4-[[1-[4-[(4,6-dimethylpyrimidine-5-carbonyl)amino]butan-2-yl]piperidin-4-yl]-(thiophen-3-ylmethyl)amino]benzoate
CID 76566952
6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-[2-(3-methoxyphenyl)ethyl]pyrimidine-4-carboxamide
CID 109351353

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)butyl]-4,6-dimethylpyrimidine-5-carboxamide?
The IUPAC name of N-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)butyl]-4,6-dimethylpyrimidine-5-carboxamide (CID 86629513) is N-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)butyl]-4,6-dimethylpyrimidine-5-carboxamide.
What is the SMILES notation for N-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)butyl]-4,6-dimethylpyrimidine-5-carboxamide?
The canonical SMILES for N-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)butyl]-4,6-dimethylpyrimidine-5-carboxamide is Cc1ncnc(C)c1C(=O)NCCC(C)N1CCC2(CC1)OCCO2.
What is the InChIKey of N-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)butyl]-4,6-dimethylpyrimidine-5-carboxamide?
The InChIKey is QFYUSMSZLAMTAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O3/c1-13(22-8-5-18(6-9-22)24-10-11-25-18)4-7-19-17(23)16-14(2)20-12-21-15(16)3/h12-13H,4-11H2,1-3H3,(H,19,23).
What are the key properties of N-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)butyl]-4,6-dimethylpyrimidine-5-carboxamide?
N-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)butyl]-4,6-dimethylpyrimidine-5-carboxamide has a molecular weight of 348.45 g/mol, XLogP of 1.44, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)butyl]-4,6-dimethylpyrimidine-5-carboxamide is sourced from PubChem (CID 86629513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).