N-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]-1-oxaspiro[5.5]undecan-4-amine

C20H30N4O — CID 75471440

IUPACN-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]-1-oxaspiro[5.5]undecan-4-amine
SMILESCc1cc2ncc(C(C)NC3CCOC4(CCCCC4)C3)c(C)n2n1
InChIInChI=1S/C20H30N4O/c1-14-11-19-21-13-18(16(3)24(19)23-14)15(2)22-17-7-10-25-20(12-17)8-5-4-6-9-20/h11,13,15,17,22H,4-10,12H2,1-3H3
InChIKeyKDQISYDHNGBOHF-UHFFFAOYSA-N
MW342.49 g/mol
LogP3.88
Rot. Bonds3

About N-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]-1-oxaspiro[5.5]undecan-4-amine

N-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]-1-oxaspiro[5.5]undecan-4-amine (PubChem CID 75471440) has the molecular formula C20H30N4O and a molecular weight of 342.49 g/mol. Its IUPAC name is N-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]-1-oxaspiro[5.5]undecan-4-amine.

Molecular Properties

Compound NameN-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]-1-oxaspiro[5.5]undecan-4-amine
PubChem CID75471440
Molecular FormulaC20H30N4O
Molecular Weight342.49 g/mol
Exact Mass342.24
IUPAC NameN-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]-1-oxaspiro[5.5]undecan-4-amine
SMILESCc1cc2ncc(C(C)NC3CCOC4(CCCCC4)C3)c(C)n2n1
InChIInChI=1S/C20H30N4O/c1-14-11-19-21-13-18(16(3)24(19)23-14)15(2)22-17-7-10-25-20(12-17)8-5-4-6-9-20/h11,13,15,17,22H,4-10,12H2,1-3H3
InChIKeyKDQISYDHNGBOHF-UHFFFAOYSA-N
XLogP3.88
TPSA51.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.49
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]-1-oxaspiro[5.5]undecan-4-amine with MolForge

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Related Compounds

N-[1-(4-methylpyrimidin-5-yl)ethyl]-1-oxaspiro[5.5]undecan-4-amine
CID 167872124
1-cyclopropyl-N-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]ethanamine
CID 43533202
N-[1-(furan-2-yl)ethyl]-1-oxaspiro[5.5]undecan-4-amine
CID 79894899
1-cyclopropyl-2-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethylamino]ethanol
CID 63294854
N-[(1S)-1-(4-fluorophenyl)ethyl]-5-oxaspiro[3.5]nonan-8-amine
CID 81348055
N-[1-(4-fluorophenyl)ethyl]-5-oxaspiro[3.5]nonan-8-amine
CID 79895662
N-[(1R)-1-(4-bromophenyl)ethyl]-5-oxaspiro[3.5]nonan-8-amine
CID 81360031
N-[(1S)-1-(furan-2-yl)ethyl]-5-oxaspiro[3.5]nonan-8-amine
CID 81399877
[(2,5-dimethylpyrazol-3-yl)-(6-oxaspiro[4.5]decan-9-yl)methyl]hydrazine
CID 105325481
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2,6-dioxaspiro[4.5]decan-9-amine
CID 79895601
N-[1-(oxan-4-yl)ethyl]-1-oxaspiro[5.5]undecan-4-amine
CID 103791803
N-(1-cyclopropylpropan-2-yl)-1-oxaspiro[5.5]undecan-4-amine
CID 79904048

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]-1-oxaspiro[5.5]undecan-4-amine?
The IUPAC name of N-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]-1-oxaspiro[5.5]undecan-4-amine (CID 75471440) is N-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]-1-oxaspiro[5.5]undecan-4-amine.
What is the SMILES notation for N-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]-1-oxaspiro[5.5]undecan-4-amine?
The canonical SMILES for N-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]-1-oxaspiro[5.5]undecan-4-amine is Cc1cc2ncc(C(C)NC3CCOC4(CCCCC4)C3)c(C)n2n1.
What is the InChIKey of N-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]-1-oxaspiro[5.5]undecan-4-amine?
The InChIKey is KDQISYDHNGBOHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O/c1-14-11-19-21-13-18(16(3)24(19)23-14)15(2)22-17-7-10-25-20(12-17)8-5-4-6-9-20/h11,13,15,17,22H,4-10,12H2,1-3H3.
What are the key properties of N-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]-1-oxaspiro[5.5]undecan-4-amine?
N-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]-1-oxaspiro[5.5]undecan-4-amine has a molecular weight of 342.49 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]-1-oxaspiro[5.5]undecan-4-amine is sourced from PubChem (CID 75471440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).