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

C20H26N4O2 — CID 112897402

IUPAC4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-ethyl-6-methylphenyl)pyrimidin-2-amine
SMILESCCc1cccc(C)c1Nc1nccc(N2CCC3(CC2)OCCO3)n1
InChIInChI=1S/C20H26N4O2/c1-3-16-6-4-5-15(2)18(16)23-19-21-10-7-17(22-19)24-11-8-20(9-12-24)25-13-14-26-20/h4-7,10H,3,8-9,11-14H2,1-2H3,(H,21,22,23)
InChIKeyZROKQKAGQWNVOR-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.43
Rot. Bonds4

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

4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-ethyl-6-methylphenyl)pyrimidin-2-amine (PubChem CID 112897402) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is 4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-ethyl-6-methylphenyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-ethyl-6-methylphenyl)pyrimidin-2-amine
PubChem CID112897402
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Name4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-ethyl-6-methylphenyl)pyrimidin-2-amine
SMILESCCc1cccc(C)c1Nc1nccc(N2CCC3(CC2)OCCO3)n1
InChIInChI=1S/C20H26N4O2/c1-3-16-6-4-5-15(2)18(16)23-19-21-10-7-17(22-19)24-11-8-20(9-12-24)25-13-14-26-20/h4-7,10H,3,8-9,11-14H2,1-2H3,(H,21,22,23)
InChIKeyZROKQKAGQWNVOR-UHFFFAOYSA-N
XLogP3.43
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.43
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)-N-(2-ethyl-6-methylphenyl)-2-methylpyrimidin-4-amine
CID 112875061
N-(2,5-dimethylphenyl)-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-2-amine
CID 112897394
N-tert-butyl-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-2-amine
CID 112897374
4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-methoxyphenyl)pyrimidin-2-amine
CID 112897424
[2-(2-ethyl-6-methylanilino)pyrimidin-4-yl]-pyrrolidin-1-ylmethanone
CID 109297753
4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methyl-N-(2-methyl-6-propan-2-ylphenyl)pyrimidin-2-amine
CID 112922874
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[6-(2-ethyl-6-methylanilino)-2-methylpyrimidin-4-yl]methanone
CID 109372931
N-(2,6-dimethylphenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridine-4-carboxamide
CID 109174043
[2-(2,6-diethylanilino)pyrimidin-5-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 109261596
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(2-ethyl-6-methylanilino)ethanone
CID 109003276
N-[(3,4-dimethoxyphenyl)methyl]-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-2-amine
CID 112897280
N-[2-(4-chlorophenyl)ethyl]-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-2-amine
CID 112897124

Frequently Asked Questions

What is the IUPAC name of 4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-ethyl-6-methylphenyl)pyrimidin-2-amine?
The IUPAC name of 4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-ethyl-6-methylphenyl)pyrimidin-2-amine (CID 112897402) is 4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-ethyl-6-methylphenyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-ethyl-6-methylphenyl)pyrimidin-2-amine?
The canonical SMILES for 4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-ethyl-6-methylphenyl)pyrimidin-2-amine is CCc1cccc(C)c1Nc1nccc(N2CCC3(CC2)OCCO3)n1.
What is the InChIKey of 4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-ethyl-6-methylphenyl)pyrimidin-2-amine?
The InChIKey is ZROKQKAGQWNVOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-3-16-6-4-5-15(2)18(16)23-19-21-10-7-17(22-19)24-11-8-20(9-12-24)25-13-14-26-20/h4-7,10H,3,8-9,11-14H2,1-2H3,(H,21,22,23).
What are the key properties of 4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-ethyl-6-methylphenyl)pyrimidin-2-amine?
4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-ethyl-6-methylphenyl)pyrimidin-2-amine has a molecular weight of 354.45 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-ethyl-6-methylphenyl)pyrimidin-2-amine is sourced from PubChem (CID 112897402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).