6-(8-azaspiro[4.5]decan-8-yl)-2-cyclopropyl-N-methylpyrimidin-4-amine

C17H26N4 — CID 80958988

IUPAC6-(8-azaspiro[4.5]decan-8-yl)-2-cyclopropyl-N-methylpyrimidin-4-amine
SMILESCNc1cc(N2CCC3(CCCC3)CC2)nc(C2CC2)n1
InChIInChI=1S/C17H26N4/c1-18-14-12-15(20-16(19-14)13-4-5-13)21-10-8-17(9-11-21)6-2-3-7-17/h12-13H,2-11H2,1H3,(H,18,19,20)
InChIKeyGXVBBQPOUGIMKF-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.56
Rot. Bonds3

About 6-(8-azaspiro[4.5]decan-8-yl)-2-cyclopropyl-N-methylpyrimidin-4-amine

6-(8-azaspiro[4.5]decan-8-yl)-2-cyclopropyl-N-methylpyrimidin-4-amine (PubChem CID 80958988) has the molecular formula C17H26N4 and a molecular weight of 286.42 g/mol. Its IUPAC name is 6-(8-azaspiro[4.5]decan-8-yl)-2-cyclopropyl-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(8-azaspiro[4.5]decan-8-yl)-2-cyclopropyl-N-methylpyrimidin-4-amine
PubChem CID80958988
Molecular FormulaC17H26N4
Molecular Weight286.42 g/mol
Exact Mass286.22
IUPAC Name6-(8-azaspiro[4.5]decan-8-yl)-2-cyclopropyl-N-methylpyrimidin-4-amine
SMILESCNc1cc(N2CCC3(CCCC3)CC2)nc(C2CC2)n1
InChIInChI=1S/C17H26N4/c1-18-14-12-15(20-16(19-14)13-4-5-13)21-10-8-17(9-11-21)6-2-3-7-17/h12-13H,2-11H2,1H3,(H,18,19,20)
InChIKeyGXVBBQPOUGIMKF-UHFFFAOYSA-N
XLogP3.56
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-4-methylazepan-4-ol
CID 107409033
2-cyclopropyl-N-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine
CID 80955969
2-cyclopropyl-N-methyl-6-morpholin-4-ylpyrimidin-4-amine
CID 80956626
2-cyclopropyl-6-(4-ethylazepan-1-yl)-N-methylpyrimidin-4-amine
CID 80959321
2-cyclopropyl-6-[4-(cyclopropylmethyl)piperazin-1-yl]-N-methylpyrimidin-4-amine
CID 80960691
1-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]piperidine-4-carboxamide
CID 80957124
[2-cyclopropyl-6-(4,4-dimethylazepan-1-yl)pyrimidin-4-yl]hydrazine
CID 80968250
2-cyclopropyl-N-methyl-6-(3,4,5-trimethylpiperazin-1-yl)pyrimidin-4-amine
CID 114541814
1-(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)-4-methylpiperidin-4-ol
CID 81109226
1-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-1,4-diazepan-5-one
CID 80957470
2-cyclopropyl-N-methyl-6-(2-methylazepan-1-yl)pyrimidin-4-amine
CID 80959929
2-cyclopropyl-6-(2-ethylpyrrolidin-1-yl)-N-methylpyrimidin-4-amine
CID 80967096

Frequently Asked Questions

What is the IUPAC name of 6-(8-azaspiro[4.5]decan-8-yl)-2-cyclopropyl-N-methylpyrimidin-4-amine?
The IUPAC name of 6-(8-azaspiro[4.5]decan-8-yl)-2-cyclopropyl-N-methylpyrimidin-4-amine (CID 80958988) is 6-(8-azaspiro[4.5]decan-8-yl)-2-cyclopropyl-N-methylpyrimidin-4-amine.
What is the SMILES notation for 6-(8-azaspiro[4.5]decan-8-yl)-2-cyclopropyl-N-methylpyrimidin-4-amine?
The canonical SMILES for 6-(8-azaspiro[4.5]decan-8-yl)-2-cyclopropyl-N-methylpyrimidin-4-amine is CNc1cc(N2CCC3(CCCC3)CC2)nc(C2CC2)n1.
What is the InChIKey of 6-(8-azaspiro[4.5]decan-8-yl)-2-cyclopropyl-N-methylpyrimidin-4-amine?
The InChIKey is GXVBBQPOUGIMKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4/c1-18-14-12-15(20-16(19-14)13-4-5-13)21-10-8-17(9-11-21)6-2-3-7-17/h12-13H,2-11H2,1H3,(H,18,19,20).
What are the key properties of 6-(8-azaspiro[4.5]decan-8-yl)-2-cyclopropyl-N-methylpyrimidin-4-amine?
6-(8-azaspiro[4.5]decan-8-yl)-2-cyclopropyl-N-methylpyrimidin-4-amine has a molecular weight of 286.42 g/mol, XLogP of 3.56, 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)-2-cyclopropyl-N-methylpyrimidin-4-amine is sourced from PubChem (CID 80958988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).