N-[2-(4,7-diazaspiro[2.5]octan-7-yl)pyrimidin-4-yl]-1H-isoindol-5-amine

C18H20N6 — CID 147378133

IUPACN-[2-(4,7-diazaspiro[2.5]octan-7-yl)pyrimidin-4-yl]-1H-isoindol-5-amine
SMILESC1=NCc2ccc(Nc3ccnc(N4CCNC5(CC5)C4)n3)cc21
InChIInChI=1S/C18H20N6/c1-2-15(9-14-11-19-10-13(1)14)22-16-3-6-20-17(23-16)24-8-7-21-18(12-24)4-5-18/h1-3,6,9,11,21H,4-5,7-8,10,12H2,(H,20,22,23)
InChIKeyDKKPFZSOHBDLMR-UHFFFAOYSA-N
MW320.40 g/mol
LogP2.09
Rot. Bonds3

About N-[2-(4,7-diazaspiro[2.5]octan-7-yl)pyrimidin-4-yl]-1H-isoindol-5-amine

N-[2-(4,7-diazaspiro[2.5]octan-7-yl)pyrimidin-4-yl]-1H-isoindol-5-amine (PubChem CID 147378133) has the molecular formula C18H20N6 and a molecular weight of 320.40 g/mol. Its IUPAC name is N-[2-(4,7-diazaspiro[2.5]octan-7-yl)pyrimidin-4-yl]-1H-isoindol-5-amine.

Molecular Properties

Compound NameN-[2-(4,7-diazaspiro[2.5]octan-7-yl)pyrimidin-4-yl]-1H-isoindol-5-amine
PubChem CID147378133
Molecular FormulaC18H20N6
Molecular Weight320.40 g/mol
Exact Mass320.17
IUPAC NameN-[2-(4,7-diazaspiro[2.5]octan-7-yl)pyrimidin-4-yl]-1H-isoindol-5-amine
SMILESC1=NCc2ccc(Nc3ccnc(N4CCNC5(CC5)C4)n3)cc21
InChIInChI=1S/C18H20N6/c1-2-15(9-14-11-19-10-13(1)14)22-16-3-6-20-17(23-16)24-8-7-21-18(12-24)4-5-18/h1-3,6,9,11,21H,4-5,7-8,10,12H2,(H,20,22,23)
InChIKeyDKKPFZSOHBDLMR-UHFFFAOYSA-N
XLogP2.09
TPSA65.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4,7-diazaspiro[2.5]octan-7-yl)pyrimidin-4-yl]-1H-isoindol-5-amine?
The IUPAC name of N-[2-(4,7-diazaspiro[2.5]octan-7-yl)pyrimidin-4-yl]-1H-isoindol-5-amine (CID 147378133) is N-[2-(4,7-diazaspiro[2.5]octan-7-yl)pyrimidin-4-yl]-1H-isoindol-5-amine.
What is the SMILES notation for N-[2-(4,7-diazaspiro[2.5]octan-7-yl)pyrimidin-4-yl]-1H-isoindol-5-amine?
The canonical SMILES for N-[2-(4,7-diazaspiro[2.5]octan-7-yl)pyrimidin-4-yl]-1H-isoindol-5-amine is C1=NCc2ccc(Nc3ccnc(N4CCNC5(CC5)C4)n3)cc21.
What is the InChIKey of N-[2-(4,7-diazaspiro[2.5]octan-7-yl)pyrimidin-4-yl]-1H-isoindol-5-amine?
The InChIKey is DKKPFZSOHBDLMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6/c1-2-15(9-14-11-19-10-13(1)14)22-16-3-6-20-17(23-16)24-8-7-21-18(12-24)4-5-18/h1-3,6,9,11,21H,4-5,7-8,10,12H2,(H,20,22,23).
What are the key properties of N-[2-(4,7-diazaspiro[2.5]octan-7-yl)pyrimidin-4-yl]-1H-isoindol-5-amine?
N-[2-(4,7-diazaspiro[2.5]octan-7-yl)pyrimidin-4-yl]-1H-isoindol-5-amine has a molecular weight of 320.40 g/mol, XLogP of 2.09, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,7-diazaspiro[2.5]octan-7-yl)pyrimidin-4-yl]-1H-isoindol-5-amine is sourced from PubChem (CID 147378133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).