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

C15H19N5S — CID 110139184

IUPACN-pyrimidin-4-yl-6-(1,3-thiazol-4-ylmethyl)-6-azaspiro[3.4]octan-2-amine
SMILESc1cc(NC2CC3(CCN(Cc4cscn4)C3)C2)ncn1
InChIInChI=1S/C15H19N5S/c1-3-16-10-17-14(1)19-12-5-15(6-12)2-4-20(9-15)7-13-8-21-11-18-13/h1,3,8,10-12H,2,4-7,9H2,(H,16,17,19)
InChIKeyOQBZDIUWWRDVQT-UHFFFAOYSA-N
MW301.42 g/mol
LogP2.40
Rot. Bonds4

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

N-pyrimidin-4-yl-6-(1,3-thiazol-4-ylmethyl)-6-azaspiro[3.4]octan-2-amine (PubChem CID 110139184) has the molecular formula C15H19N5S and a molecular weight of 301.42 g/mol. Its IUPAC name is N-pyrimidin-4-yl-6-(1,3-thiazol-4-ylmethyl)-6-azaspiro[3.4]octan-2-amine.

Molecular Properties

Compound NameN-pyrimidin-4-yl-6-(1,3-thiazol-4-ylmethyl)-6-azaspiro[3.4]octan-2-amine
PubChem CID110139184
Molecular FormulaC15H19N5S
Molecular Weight301.42 g/mol
Exact Mass301.14
IUPAC NameN-pyrimidin-4-yl-6-(1,3-thiazol-4-ylmethyl)-6-azaspiro[3.4]octan-2-amine
SMILESc1cc(NC2CC3(CCN(Cc4cscn4)C3)C2)ncn1
InChIInChI=1S/C15H19N5S/c1-3-16-10-17-14(1)19-12-5-15(6-12)2-4-20(9-15)7-13-8-21-11-18-13/h1,3,8,10-12H,2,4-7,9H2,(H,16,17,19)
InChIKeyOQBZDIUWWRDVQT-UHFFFAOYSA-N
XLogP2.40
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.42
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-pyrimidin-4-yl-6-(1,3-thiazol-4-ylmethyl)-6-azaspiro[3.4]octan-2-amine?
The IUPAC name of N-pyrimidin-4-yl-6-(1,3-thiazol-4-ylmethyl)-6-azaspiro[3.4]octan-2-amine (CID 110139184) is N-pyrimidin-4-yl-6-(1,3-thiazol-4-ylmethyl)-6-azaspiro[3.4]octan-2-amine.
What is the SMILES notation for N-pyrimidin-4-yl-6-(1,3-thiazol-4-ylmethyl)-6-azaspiro[3.4]octan-2-amine?
The canonical SMILES for N-pyrimidin-4-yl-6-(1,3-thiazol-4-ylmethyl)-6-azaspiro[3.4]octan-2-amine is c1cc(NC2CC3(CCN(Cc4cscn4)C3)C2)ncn1.
What is the InChIKey of N-pyrimidin-4-yl-6-(1,3-thiazol-4-ylmethyl)-6-azaspiro[3.4]octan-2-amine?
The InChIKey is OQBZDIUWWRDVQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5S/c1-3-16-10-17-14(1)19-12-5-15(6-12)2-4-20(9-15)7-13-8-21-11-18-13/h1,3,8,10-12H,2,4-7,9H2,(H,16,17,19).
What are the key properties of N-pyrimidin-4-yl-6-(1,3-thiazol-4-ylmethyl)-6-azaspiro[3.4]octan-2-amine?
N-pyrimidin-4-yl-6-(1,3-thiazol-4-ylmethyl)-6-azaspiro[3.4]octan-2-amine has a molecular weight of 301.42 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyrimidin-4-yl-6-(1,3-thiazol-4-ylmethyl)-6-azaspiro[3.4]octan-2-amine is sourced from PubChem (CID 110139184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).