6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(4-ethoxyphenyl)-2-methylpyrimidine-4-carboxamide

C21H26N4O4 — CID 109372888

IUPAC6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(4-ethoxyphenyl)-2-methylpyrimidine-4-carboxamide
SMILESCCOc1ccc(NC(=O)c2cc(N3CCC4(CC3)OCCO4)nc(C)n2)cc1
InChIInChI=1S/C21H26N4O4/c1-3-27-17-6-4-16(5-7-17)24-20(26)18-14-19(23-15(2)22-18)25-10-8-21(9-11-25)28-12-13-29-21/h4-7,14H,3,8-13H2,1-2H3,(H,24,26)
InChIKeyVMILNTWSOYVSGA-UHFFFAOYSA-N
MW398.46 g/mol
LogP2.78
Rot. Bonds5

About 6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(4-ethoxyphenyl)-2-methylpyrimidine-4-carboxamide

6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(4-ethoxyphenyl)-2-methylpyrimidine-4-carboxamide (PubChem CID 109372888) has the molecular formula C21H26N4O4 and a molecular weight of 398.46 g/mol. Its IUPAC name is 6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(4-ethoxyphenyl)-2-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(4-ethoxyphenyl)-2-methylpyrimidine-4-carboxamide
PubChem CID109372888
Molecular FormulaC21H26N4O4
Molecular Weight398.46 g/mol
Exact Mass398.20
IUPAC Name6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(4-ethoxyphenyl)-2-methylpyrimidine-4-carboxamide
SMILESCCOc1ccc(NC(=O)c2cc(N3CCC4(CC3)OCCO4)nc(C)n2)cc1
InChIInChI=1S/C21H26N4O4/c1-3-27-17-6-4-16(5-7-17)24-20(26)18-14-19(23-15(2)22-18)25-10-8-21(9-11-25)28-12-13-29-21/h4-7,14H,3,8-13H2,1-2H3,(H,24,26)
InChIKeyVMILNTWSOYVSGA-UHFFFAOYSA-N
XLogP2.78
TPSA85.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(4-ethoxyphenyl)-2-methylpyrimidine-4-carboxamide with MolForge

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Related Compounds

N-(4-ethoxyphenyl)-2-methyl-6-morpholin-4-ylpyrimidine-4-carboxamide
CID 109365450
6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-methoxy-5-methylphenyl)-2-methylpyrimidine-4-carboxamide
CID 109372889
N-(4-acetamidophenyl)-2-methyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 109362830
2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(4-methoxyphenyl)pyridine-4-carboxamide
CID 109174068
2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(4-ethoxyphenyl)acetamide
CID 6469271
6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(4-methoxyphenyl)-2-methylpyrimidin-4-amine
CID 112875084
2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109331795
2-methyl-6-morpholin-4-yl-N-phenylpyrimidine-4-carboxamide
CID 109365407
N-(3-chloro-4-methylphenyl)-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidine-4-carboxamide
CID 109352530
6-(azepan-1-yl)-2-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 112847676
2-methyl-6-pyrrolidin-1-yl-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-4-carboxamide
CID 109362838
2-methyl-N-(4-methylphenyl)-6-piperidin-1-ylpyrimidine-4-carboxamide
CID 109363513

Frequently Asked Questions

What is the IUPAC name of 6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(4-ethoxyphenyl)-2-methylpyrimidine-4-carboxamide?
The IUPAC name of 6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(4-ethoxyphenyl)-2-methylpyrimidine-4-carboxamide (CID 109372888) is 6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(4-ethoxyphenyl)-2-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(4-ethoxyphenyl)-2-methylpyrimidine-4-carboxamide?
The canonical SMILES for 6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(4-ethoxyphenyl)-2-methylpyrimidine-4-carboxamide is CCOc1ccc(NC(=O)c2cc(N3CCC4(CC3)OCCO4)nc(C)n2)cc1.
What is the InChIKey of 6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(4-ethoxyphenyl)-2-methylpyrimidine-4-carboxamide?
The InChIKey is VMILNTWSOYVSGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O4/c1-3-27-17-6-4-16(5-7-17)24-20(26)18-14-19(23-15(2)22-18)25-10-8-21(9-11-25)28-12-13-29-21/h4-7,14H,3,8-13H2,1-2H3,(H,24,26).
What are the key properties of 6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(4-ethoxyphenyl)-2-methylpyrimidine-4-carboxamide?
6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(4-ethoxyphenyl)-2-methylpyrimidine-4-carboxamide has a molecular weight of 398.46 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(4-ethoxyphenyl)-2-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109372888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).