N-(6-methylpyrimidin-4-yl)-6-[(2-methyl-1,3-thiazol-4-yl)methyl]-6-azaspiro[3.4]octan-2-amine

C17H23N5S — CID 110139197

IUPACN-(6-methylpyrimidin-4-yl)-6-[(2-methyl-1,3-thiazol-4-yl)methyl]-6-azaspiro[3.4]octan-2-amine
SMILESCc1cc(NC2CC3(CCN(Cc4csc(C)n4)C3)C2)ncn1
InChIInChI=1S/C17H23N5S/c1-12-5-16(19-11-18-12)21-14-6-17(7-14)3-4-22(10-17)8-15-9-23-13(2)20-15/h5,9,11,14H,3-4,6-8,10H2,1-2H3,(H,18,19,21)
InChIKeyGXULXXWCLCVXPX-UHFFFAOYSA-N
MW329.47 g/mol
LogP3.02
Rot. Bonds4

About N-(6-methylpyrimidin-4-yl)-6-[(2-methyl-1,3-thiazol-4-yl)methyl]-6-azaspiro[3.4]octan-2-amine

N-(6-methylpyrimidin-4-yl)-6-[(2-methyl-1,3-thiazol-4-yl)methyl]-6-azaspiro[3.4]octan-2-amine (PubChem CID 110139197) has the molecular formula C17H23N5S and a molecular weight of 329.47 g/mol. Its IUPAC name is N-(6-methylpyrimidin-4-yl)-6-[(2-methyl-1,3-thiazol-4-yl)methyl]-6-azaspiro[3.4]octan-2-amine.

Molecular Properties

Compound NameN-(6-methylpyrimidin-4-yl)-6-[(2-methyl-1,3-thiazol-4-yl)methyl]-6-azaspiro[3.4]octan-2-amine
PubChem CID110139197
Molecular FormulaC17H23N5S
Molecular Weight329.47 g/mol
Exact Mass329.17
IUPAC NameN-(6-methylpyrimidin-4-yl)-6-[(2-methyl-1,3-thiazol-4-yl)methyl]-6-azaspiro[3.4]octan-2-amine
SMILESCc1cc(NC2CC3(CCN(Cc4csc(C)n4)C3)C2)ncn1
InChIInChI=1S/C17H23N5S/c1-12-5-16(19-11-18-12)21-14-6-17(7-14)3-4-22(10-17)8-15-9-23-13(2)20-15/h5,9,11,14H,3-4,6-8,10H2,1-2H3,(H,18,19,21)
InChIKeyGXULXXWCLCVXPX-UHFFFAOYSA-N
XLogP3.02
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(6-methylpyrimidin-4-yl)-6-[(2-methyl-1,3-thiazol-4-yl)methyl]-6-azaspiro[3.4]octan-2-amine?
The IUPAC name of N-(6-methylpyrimidin-4-yl)-6-[(2-methyl-1,3-thiazol-4-yl)methyl]-6-azaspiro[3.4]octan-2-amine (CID 110139197) is N-(6-methylpyrimidin-4-yl)-6-[(2-methyl-1,3-thiazol-4-yl)methyl]-6-azaspiro[3.4]octan-2-amine.
What is the SMILES notation for N-(6-methylpyrimidin-4-yl)-6-[(2-methyl-1,3-thiazol-4-yl)methyl]-6-azaspiro[3.4]octan-2-amine?
The canonical SMILES for N-(6-methylpyrimidin-4-yl)-6-[(2-methyl-1,3-thiazol-4-yl)methyl]-6-azaspiro[3.4]octan-2-amine is Cc1cc(NC2CC3(CCN(Cc4csc(C)n4)C3)C2)ncn1.
What is the InChIKey of N-(6-methylpyrimidin-4-yl)-6-[(2-methyl-1,3-thiazol-4-yl)methyl]-6-azaspiro[3.4]octan-2-amine?
The InChIKey is GXULXXWCLCVXPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5S/c1-12-5-16(19-11-18-12)21-14-6-17(7-14)3-4-22(10-17)8-15-9-23-13(2)20-15/h5,9,11,14H,3-4,6-8,10H2,1-2H3,(H,18,19,21).
What are the key properties of N-(6-methylpyrimidin-4-yl)-6-[(2-methyl-1,3-thiazol-4-yl)methyl]-6-azaspiro[3.4]octan-2-amine?
N-(6-methylpyrimidin-4-yl)-6-[(2-methyl-1,3-thiazol-4-yl)methyl]-6-azaspiro[3.4]octan-2-amine has a molecular weight of 329.47 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methylpyrimidin-4-yl)-6-[(2-methyl-1,3-thiazol-4-yl)methyl]-6-azaspiro[3.4]octan-2-amine is sourced from PubChem (CID 110139197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).