4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methyl-N-(2-methyl-6-propan-2-ylphenyl)pyrimidin-2-amine

C22H30N4O2 — CID 112922874

IUPAC4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methyl-N-(2-methyl-6-propan-2-ylphenyl)pyrimidin-2-amine
SMILESCc1cc(N2CCC3(CC2)OCCO3)nc(Nc2c(C)cccc2C(C)C)n1
InChIInChI=1S/C22H30N4O2/c1-15(2)18-7-5-6-16(3)20(18)25-21-23-17(4)14-19(24-21)26-10-8-22(9-11-26)27-12-13-28-22/h5-7,14-15H,8-13H2,1-4H3,(H,23,24,25)
InChIKeyAIONYKSMZSGQLT-UHFFFAOYSA-N
MW382.51 g/mol
LogP4.30
Rot. Bonds4

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

4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methyl-N-(2-methyl-6-propan-2-ylphenyl)pyrimidin-2-amine (PubChem CID 112922874) has the molecular formula C22H30N4O2 and a molecular weight of 382.51 g/mol. Its IUPAC name is 4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methyl-N-(2-methyl-6-propan-2-ylphenyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methyl-N-(2-methyl-6-propan-2-ylphenyl)pyrimidin-2-amine
PubChem CID112922874
Molecular FormulaC22H30N4O2
Molecular Weight382.51 g/mol
Exact Mass382.24
IUPAC Name4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methyl-N-(2-methyl-6-propan-2-ylphenyl)pyrimidin-2-amine
SMILESCc1cc(N2CCC3(CC2)OCCO3)nc(Nc2c(C)cccc2C(C)C)n1
InChIInChI=1S/C22H30N4O2/c1-15(2)18-7-5-6-16(3)20(18)25-21-23-17(4)14-19(24-21)26-10-8-22(9-11-26)27-12-13-28-22/h5-7,14-15H,8-13H2,1-4H3,(H,23,24,25)
InChIKeyAIONYKSMZSGQLT-UHFFFAOYSA-N
XLogP4.30
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 54.30
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
4-(azepan-1-yl)-6-methyl-N-(2-methyl-6-propan-2-ylphenyl)pyrimidin-2-amine
CID 112926589
N-(5-chloro-2-methylphenyl)-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methylpyrimidin-2-amine
CID 112922883
4-(azepan-1-yl)-N-(2,6-dimethylphenyl)-6-methylpyrimidin-2-amine
CID 112926580
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methylpyrimidin-2-amine
CID 112922916
6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-methyl-6-propan-2-ylphenyl)pyridine-3-carboxamide
CID 109159986
2-methyl-N-(2-methyl-6-propan-2-ylphenyl)-6-morpholin-4-ylpyrimidin-4-amine
CID 112869912
methyl 2-[[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methylpyrimidin-2-yl]amino]benzoate
CID 112922908
4-methyl-N-(2-methylphenyl)-6-morpholin-4-ylpyrimidin-2-amine
CID 112912131
4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(furan-2-ylmethyl)-6-methylpyrimidin-2-amine
CID 112915320
4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-ethyl-6-methylphenyl)pyrimidin-2-amine
CID 112897402
N-(2,6-dimethylphenyl)-4-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-2-amine
CID 112923455

Frequently Asked Questions

What is the IUPAC name of 4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methyl-N-(2-methyl-6-propan-2-ylphenyl)pyrimidin-2-amine?
The IUPAC name of 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) is 4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methyl-N-(2-methyl-6-propan-2-ylphenyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methyl-N-(2-methyl-6-propan-2-ylphenyl)pyrimidin-2-amine?
The canonical SMILES for 4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methyl-N-(2-methyl-6-propan-2-ylphenyl)pyrimidin-2-amine is Cc1cc(N2CCC3(CC2)OCCO3)nc(Nc2c(C)cccc2C(C)C)n1.
What is the InChIKey of 4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methyl-N-(2-methyl-6-propan-2-ylphenyl)pyrimidin-2-amine?
The InChIKey is AIONYKSMZSGQLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O2/c1-15(2)18-7-5-6-16(3)20(18)25-21-23-17(4)14-19(24-21)26-10-8-22(9-11-26)27-12-13-28-22/h5-7,14-15H,8-13H2,1-4H3,(H,23,24,25).
What are the key properties of 4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methyl-N-(2-methyl-6-propan-2-ylphenyl)pyrimidin-2-amine?
4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methyl-N-(2-methyl-6-propan-2-ylphenyl)pyrimidin-2-amine has a molecular weight of 382.51 g/mol, XLogP of 4.30, 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)-6-methyl-N-(2-methyl-6-propan-2-ylphenyl)pyrimidin-2-amine is sourced from PubChem (CID 112922874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).