2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide

C20H24N4O3 — CID 109331795

IUPAC2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide
SMILESCc1ccc(NC(=O)c2cc(C)nc(N3CCC4(CC3)OCCO4)n2)cc1
InChIInChI=1S/C20H24N4O3/c1-14-3-5-16(6-4-14)22-18(25)17-13-15(2)21-19(23-17)24-9-7-20(8-10-24)26-11-12-27-20/h3-6,13H,7-12H2,1-2H3,(H,22,25)
InChIKeyAJEJVLHHQPUZAT-UHFFFAOYSA-N
MW368.44 g/mol
LogP2.69
Rot. Bonds3

About 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide

2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide (PubChem CID 109331795) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide
PubChem CID109331795
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC Name2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide
SMILESCc1ccc(NC(=O)c2cc(C)nc(N3CCC4(CC3)OCCO4)n2)cc1
InChIInChI=1S/C20H24N4O3/c1-14-3-5-16(6-4-14)22-18(25)17-13-15(2)21-19(23-17)24-9-7-20(8-10-24)26-11-12-27-20/h3-6,13H,7-12H2,1-2H3,(H,22,25)
InChIKeyAJEJVLHHQPUZAT-UHFFFAOYSA-N
XLogP2.69
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,4-dimethylphenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methylpyrimidine-4-carboxamide
CID 109331799
N-(2,5-dimethylphenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methylpyrimidine-4-carboxamide
CID 109331800
2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methyl-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109331809
N-(4-acetamidophenyl)-2-(4-acetylpiperazin-1-yl)-6-methylpyrimidine-4-carboxamide
CID 109326640
N-(4-fluorophenyl)-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 109324278
N-(4-acetylphenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidine-4-carboxamide
CID 109309972
2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methyl-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide
CID 109325330
N-(4-ethylphenyl)-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 109324267
N-(4-fluorophenyl)-6-methyl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 109321642
N-[4-(dimethylamino)phenyl]-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidine-4-carboxamide
CID 109309978
6-methyl-2-morpholin-4-yl-N-(4-propan-2-yloxyphenyl)pyrimidine-4-carboxamide
CID 109324299
2-(azepan-1-yl)-N-[4-(dimethylamino)phenyl]-6-methylpyrimidine-4-carboxamide
CID 109334404

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide (CID 109331795) is 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide is Cc1ccc(NC(=O)c2cc(C)nc(N3CCC4(CC3)OCCO4)n2)cc1.
What is the InChIKey of 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide?
The InChIKey is AJEJVLHHQPUZAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-14-3-5-16(6-4-14)22-18(25)17-13-15(2)21-19(23-17)24-9-7-20(8-10-24)26-11-12-27-20/h3-6,13H,7-12H2,1-2H3,(H,22,25).
What are the key properties of 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide?
2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide has a molecular weight of 368.44 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109331795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).