6-(8-azaspiro[4.5]decan-8-yl)-N-ethyl-5-methylpyrimidin-4-amine

C16H26N4 — CID 80831776

IUPAC6-(8-azaspiro[4.5]decan-8-yl)-N-ethyl-5-methylpyrimidin-4-amine
SMILESCCNc1ncnc(N2CCC3(CCCC3)CC2)c1C
InChIInChI=1S/C16H26N4/c1-3-17-14-13(2)15(19-12-18-14)20-10-8-16(9-11-20)6-4-5-7-16/h12H,3-11H2,1-2H3,(H,17,18,19)
InChIKeyUTFOPPOLLSOJAB-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.38
Rot. Bonds3

About 6-(8-azaspiro[4.5]decan-8-yl)-N-ethyl-5-methylpyrimidin-4-amine

6-(8-azaspiro[4.5]decan-8-yl)-N-ethyl-5-methylpyrimidin-4-amine (PubChem CID 80831776) has the molecular formula C16H26N4 and a molecular weight of 274.41 g/mol. Its IUPAC name is 6-(8-azaspiro[4.5]decan-8-yl)-N-ethyl-5-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(8-azaspiro[4.5]decan-8-yl)-N-ethyl-5-methylpyrimidin-4-amine
PubChem CID80831776
Molecular FormulaC16H26N4
Molecular Weight274.41 g/mol
Exact Mass274.22
IUPAC Name6-(8-azaspiro[4.5]decan-8-yl)-N-ethyl-5-methylpyrimidin-4-amine
SMILESCCNc1ncnc(N2CCC3(CCCC3)CC2)c1C
InChIInChI=1S/C16H26N4/c1-3-17-14-13(2)15(19-12-18-14)20-10-8-16(9-11-20)6-4-5-7-16/h12H,3-11H2,1-2H3,(H,17,18,19)
InChIKeyUTFOPPOLLSOJAB-UHFFFAOYSA-N
XLogP3.38
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[6-(3-azaspiro[5.5]undecan-3-yl)-5-methylpyrimidin-4-yl]hydrazine
CID 80919022
6-(3,3-diethylpyrrolidin-1-yl)-N-ethyl-5-methylpyrimidin-4-amine
CID 80855240
6-(3,3-dimethylpiperidin-1-yl)-N-ethyl-5-methylpyrimidin-4-amine
CID 80835406
N-ethyl-5-methyl-6-(1,4-oxazepan-4-yl)pyrimidin-4-amine
CID 80823280
N-ethyl-5-methyl-6-(4-propan-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 80793772
6-(2,2-dimethylpyrrolidin-1-yl)-N-ethyl-5-methylpyrimidin-4-amine
CID 80828149
6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-ethyl-5-methylpyrimidin-4-amine
CID 80854935
N-ethyl-5-methyl-6-(2-methylpiperidin-1-yl)pyrimidin-4-amine
CID 80767326
4-[6-(ethylamino)-5-methylpyrimidin-4-yl]piperazin-2-one
CID 80763940
1-[6-(ethylamino)-5-methylpyrimidin-4-yl]-4-methylpiperidin-3-ol
CID 102971284
6-(7,7-dimethyl-1,4-thiazepan-4-yl)-N,5-diethylpyrimidin-4-amine
CID 107460210
N-ethyl-6-(2-ethylmorpholin-4-yl)-5-methylpyrimidin-4-amine
CID 80788166

Frequently Asked Questions

What is the IUPAC name of 6-(8-azaspiro[4.5]decan-8-yl)-N-ethyl-5-methylpyrimidin-4-amine?
The IUPAC name of 6-(8-azaspiro[4.5]decan-8-yl)-N-ethyl-5-methylpyrimidin-4-amine (CID 80831776) is 6-(8-azaspiro[4.5]decan-8-yl)-N-ethyl-5-methylpyrimidin-4-amine.
What is the SMILES notation for 6-(8-azaspiro[4.5]decan-8-yl)-N-ethyl-5-methylpyrimidin-4-amine?
The canonical SMILES for 6-(8-azaspiro[4.5]decan-8-yl)-N-ethyl-5-methylpyrimidin-4-amine is CCNc1ncnc(N2CCC3(CCCC3)CC2)c1C.
What is the InChIKey of 6-(8-azaspiro[4.5]decan-8-yl)-N-ethyl-5-methylpyrimidin-4-amine?
The InChIKey is UTFOPPOLLSOJAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4/c1-3-17-14-13(2)15(19-12-18-14)20-10-8-16(9-11-20)6-4-5-7-16/h12H,3-11H2,1-2H3,(H,17,18,19).
What are the key properties of 6-(8-azaspiro[4.5]decan-8-yl)-N-ethyl-5-methylpyrimidin-4-amine?
6-(8-azaspiro[4.5]decan-8-yl)-N-ethyl-5-methylpyrimidin-4-amine has a molecular weight of 274.41 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(8-azaspiro[4.5]decan-8-yl)-N-ethyl-5-methylpyrimidin-4-amine is sourced from PubChem (CID 80831776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).