6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-ethyl-6-methylphenyl)-2-methylpyrimidin-4-amine

C21H28N4O2 — CID 112875061

IUPAC6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-ethyl-6-methylphenyl)-2-methylpyrimidin-4-amine
SMILESCCc1cccc(C)c1Nc1cc(N2CCC3(CC2)OCCO3)nc(C)n1
InChIInChI=1S/C21H28N4O2/c1-4-17-7-5-6-15(2)20(17)24-18-14-19(23-16(3)22-18)25-10-8-21(9-11-25)26-12-13-27-21/h5-7,14H,4,8-13H2,1-3H3,(H,22,23,24)
InChIKeyXIQAFVGQLVSELZ-UHFFFAOYSA-N
MW368.48 g/mol
LogP3.74
Rot. Bonds4

About 6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-ethyl-6-methylphenyl)-2-methylpyrimidin-4-amine

6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-ethyl-6-methylphenyl)-2-methylpyrimidin-4-amine (PubChem CID 112875061) has the molecular formula C21H28N4O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is 6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-ethyl-6-methylphenyl)-2-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-ethyl-6-methylphenyl)-2-methylpyrimidin-4-amine
PubChem CID112875061
Molecular FormulaC21H28N4O2
Molecular Weight368.48 g/mol
Exact Mass368.22
IUPAC Name6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-ethyl-6-methylphenyl)-2-methylpyrimidin-4-amine
SMILESCCc1cccc(C)c1Nc1cc(N2CCC3(CC2)OCCO3)nc(C)n1
InChIInChI=1S/C21H28N4O2/c1-4-17-7-5-6-15(2)20(17)24-18-14-19(23-16(3)22-18)25-10-8-21(9-11-25)26-12-13-27-21/h5-7,14H,4,8-13H2,1-3H3,(H,22,23,24)
InChIKeyXIQAFVGQLVSELZ-UHFFFAOYSA-N
XLogP3.74
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-methyl-N-(2-methyl-6-propan-2-ylphenyl)pyrimidin-4-amine
CID 112875066
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[6-(2-ethyl-6-methylanilino)-2-methylpyrimidin-4-yl]methanone
CID 109372931
4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-ethyl-6-methylphenyl)pyrimidin-2-amine
CID 112897402
6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-methyl-N-(2,4,6-trimethylphenyl)pyrimidin-4-amine
CID 112875064
N-(2-ethyl-6-methylphenyl)-2-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112875535
6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-methyl-N-(4-methylphenyl)pyrimidin-4-amine
CID 112875048
6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-[(2-fluorophenyl)methyl]-2-methylpyrimidin-4-amine
CID 112872329
6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(4-methoxyphenyl)-2-methylpyrimidin-4-amine
CID 112875084
6-(2-ethyl-6-methylanilino)-2-methylpyrimidine-4-carboxylic acid
CID 82306131
2-methyl-N-(2-methyl-6-propan-2-ylphenyl)-6-morpholin-4-ylpyrimidin-4-amine
CID 112869912
N-(2-ethyl-6-methylphenyl)-6-methyl-2-pyrrolidin-1-ylpyrimidin-4-amine
CID 112909511
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(2-ethyl-6-methylanilino)ethanone
CID 109003276

Frequently Asked Questions

What is the IUPAC name of 6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-ethyl-6-methylphenyl)-2-methylpyrimidin-4-amine?
The IUPAC name of 6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-ethyl-6-methylphenyl)-2-methylpyrimidin-4-amine (CID 112875061) is 6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-ethyl-6-methylphenyl)-2-methylpyrimidin-4-amine.
What is the SMILES notation for 6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-ethyl-6-methylphenyl)-2-methylpyrimidin-4-amine?
The canonical SMILES for 6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-ethyl-6-methylphenyl)-2-methylpyrimidin-4-amine is CCc1cccc(C)c1Nc1cc(N2CCC3(CC2)OCCO3)nc(C)n1.
What is the InChIKey of 6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-ethyl-6-methylphenyl)-2-methylpyrimidin-4-amine?
The InChIKey is XIQAFVGQLVSELZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O2/c1-4-17-7-5-6-15(2)20(17)24-18-14-19(23-16(3)22-18)25-10-8-21(9-11-25)26-12-13-27-21/h5-7,14H,4,8-13H2,1-3H3,(H,22,23,24).
What are the key properties of 6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-ethyl-6-methylphenyl)-2-methylpyrimidin-4-amine?
6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-ethyl-6-methylphenyl)-2-methylpyrimidin-4-amine has a molecular weight of 368.48 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-ethyl-6-methylphenyl)-2-methylpyrimidin-4-amine is sourced from PubChem (CID 112875061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).