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

C22H30N4O2 — CID 112875066

IUPAC6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-methyl-N-(2-methyl-6-propan-2-ylphenyl)pyrimidin-4-amine
SMILESCc1nc(Nc2c(C)cccc2C(C)C)cc(N2CCC3(CC2)OCCO3)n1
InChIInChI=1S/C22H30N4O2/c1-15(2)18-7-5-6-16(3)21(18)25-19-14-20(24-17(4)23-19)26-10-8-22(9-11-26)27-12-13-28-22/h5-7,14-15H,8-13H2,1-4H3,(H,23,24,25)
InChIKeyWVCMQGSNHKPODX-UHFFFAOYSA-N
MW382.51 g/mol
LogP4.30
Rot. Bonds4

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

6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-methyl-N-(2-methyl-6-propan-2-ylphenyl)pyrimidin-4-amine (PubChem CID 112875066) has the molecular formula C22H30N4O2 and a molecular weight of 382.51 g/mol. Its IUPAC name is 6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-methyl-N-(2-methyl-6-propan-2-ylphenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-methyl-N-(2-methyl-6-propan-2-ylphenyl)pyrimidin-4-amine
PubChem CID112875066
Molecular FormulaC22H30N4O2
Molecular Weight382.51 g/mol
Exact Mass382.24
IUPAC Name6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-methyl-N-(2-methyl-6-propan-2-ylphenyl)pyrimidin-4-amine
SMILESCc1nc(Nc2c(C)cccc2C(C)C)cc(N2CCC3(CC2)OCCO3)n1
InChIInChI=1S/C22H30N4O2/c1-15(2)18-7-5-6-16(3)21(18)25-19-14-20(24-17(4)23-19)26-10-8-22(9-11-26)27-12-13-28-22/h5-7,14-15H,8-13H2,1-4H3,(H,23,24,25)
InChIKeyWVCMQGSNHKPODX-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

2-methyl-N-(2-methyl-6-propan-2-ylphenyl)-6-morpholin-4-ylpyrimidin-4-amine
CID 112869912
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
6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-ethyl-6-methylphenyl)-2-methylpyrimidin-4-amine
CID 112875061
6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-methyl-N-(2,4,6-trimethylphenyl)pyrimidin-4-amine
CID 112875064
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-(4-methoxyphenyl)-2-methylpyrimidin-4-amine
CID 112875084
6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-methyl-6-propan-2-ylphenyl)pyridine-3-carboxamide
CID 109159986
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[5-(2-methyl-6-propan-2-ylanilino)-3-pyridinyl]methanone
CID 109237999
2-methyl-4-N-(2-methyl-6-propan-2-ylphenyl)-6-N-(2-methylpropyl)pyrimidine-4,6-diamine
CID 112868133
2-methyl-6-(4-phenylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)pyrimidin-4-amine
CID 112874738
6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-[(2-fluorophenyl)methyl]-2-methylpyrimidin-4-amine
CID 112872329
2-methyl-4-N-(2-methyl-6-propan-2-ylphenyl)-6-N-propylpyrimidine-4,6-diamine
CID 112867245

Frequently Asked Questions

What is the IUPAC name of 6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-methyl-N-(2-methyl-6-propan-2-ylphenyl)pyrimidin-4-amine?
The IUPAC name of 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) is 6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-methyl-N-(2-methyl-6-propan-2-ylphenyl)pyrimidin-4-amine.
What is the SMILES notation for 6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-methyl-N-(2-methyl-6-propan-2-ylphenyl)pyrimidin-4-amine?
The canonical SMILES for 6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-methyl-N-(2-methyl-6-propan-2-ylphenyl)pyrimidin-4-amine is Cc1nc(Nc2c(C)cccc2C(C)C)cc(N2CCC3(CC2)OCCO3)n1.
What is the InChIKey of 6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-methyl-N-(2-methyl-6-propan-2-ylphenyl)pyrimidin-4-amine?
The InChIKey is WVCMQGSNHKPODX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O2/c1-15(2)18-7-5-6-16(3)21(18)25-19-14-20(24-17(4)23-19)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 6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-methyl-N-(2-methyl-6-propan-2-ylphenyl)pyrimidin-4-amine?
6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-methyl-N-(2-methyl-6-propan-2-ylphenyl)pyrimidin-4-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 6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-methyl-N-(2-methyl-6-propan-2-ylphenyl)pyrimidin-4-amine is sourced from PubChem (CID 112875066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).