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

C19H24N4O2 — CID 112862686

IUPAC6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-ethyl-N-phenylpyrimidin-4-amine
SMILESCCN(c1ccccc1)c1cc(N2CCC3(CC2)OCCO3)ncn1
InChIInChI=1S/C19H24N4O2/c1-2-23(16-6-4-3-5-7-16)18-14-17(20-15-21-18)22-10-8-19(9-11-22)24-12-13-25-19/h3-7,14-15H,2,8-13H2,1H3
InChIKeyFWBGGANGJNXCQY-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.98
Rot. Bonds4

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

6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-ethyl-N-phenylpyrimidin-4-amine (PubChem CID 112862686) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-ethyl-N-phenylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-ethyl-N-phenylpyrimidin-4-amine
PubChem CID112862686
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-ethyl-N-phenylpyrimidin-4-amine
SMILESCCN(c1ccccc1)c1cc(N2CCC3(CC2)OCCO3)ncn1
InChIInChI=1S/C19H24N4O2/c1-2-23(16-6-4-3-5-7-16)18-14-17(20-15-21-18)22-10-8-19(9-11-22)24-12-13-25-19/h3-7,14-15H,2,8-13H2,1H3
InChIKeyFWBGGANGJNXCQY-UHFFFAOYSA-N
XLogP2.98
TPSA50.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

8-(2,6-Dipyridin-2-ylpyrimidin-4-yl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 5066784
5-[2-[4-(1,4-Dioxa-8-azaspiro[4.5]decan-8-yl)-6-methylpyrimidin-5-yl]ethynyl]pyridin-2-amine
CID 58073700
5-[2-[4-(1,4-Dioxa-8-azaspiro[4.5]decan-8-yl)-6-ethylpyrimidin-5-yl]ethynyl]pyridin-2-amine
CID 58073717
8-[6-(4-Fluorophenyl)-2-pyridin-3-ylpyrimidin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 3289312
8-[6-(2-Fluorophenyl)-2-methylpyrimidin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 4052853
8-[6-(2-Fluorophenyl)-2-pyridin-4-ylpyrimidin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 4089982
8-[6-(4-Fluorophenyl)-2-pyridin-4-ylpyrimidin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 4178182
8-[6-(4-Fluorophenyl)-2-methylpyrimidin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 4217975
8-[6-(2-Fluorophenyl)-2-pyridin-3-ylpyrimidin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 4605608
6-[(3S)-3-(ethoxymethyl)pyrrolidin-1-yl]-N-methyl-N-phenylpyrimidin-4-amine
CID 164641396
1-N-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-4-yl]-4-N-(trifluoromethyl)benzene-1,4-diamine
CID 142951066
8-(6-Phenyl-2-pyridin-2-ylpyrimidin-4-yl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 3325484

Frequently Asked Questions

What is the IUPAC name of 6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-ethyl-N-phenylpyrimidin-4-amine?
The IUPAC name of 6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-ethyl-N-phenylpyrimidin-4-amine (CID 112862686) is 6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-ethyl-N-phenylpyrimidin-4-amine.
What is the SMILES notation for 6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-ethyl-N-phenylpyrimidin-4-amine?
The canonical SMILES for 6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-ethyl-N-phenylpyrimidin-4-amine is CCN(c1ccccc1)c1cc(N2CCC3(CC2)OCCO3)ncn1.
What is the InChIKey of 6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-ethyl-N-phenylpyrimidin-4-amine?
The InChIKey is FWBGGANGJNXCQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-2-23(16-6-4-3-5-7-16)18-14-17(20-15-21-18)22-10-8-19(9-11-22)24-12-13-25-19/h3-7,14-15H,2,8-13H2,1H3.
What are the key properties of 6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-ethyl-N-phenylpyrimidin-4-amine?
6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-ethyl-N-phenylpyrimidin-4-amine has a molecular weight of 340.43 g/mol, XLogP of 2.98, 4 rotatable bonds, 0 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-ethyl-N-phenylpyrimidin-4-amine is sourced from PubChem (CID 112862686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).