5-[[methyl(1,3-thiazol-2-ylmethyl)amino]methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine

C15H21N5OS — CID 99928673

IUPAC5-[[methyl(1,3-thiazol-2-ylmethyl)amino]methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine
SMILESCN(Cc1cnc(NC[C@H]2CCCO2)nc1)Cc1nccs1
InChIInChI=1S/C15H21N5OS/c1-20(11-14-16-4-6-22-14)10-12-7-17-15(18-8-12)19-9-13-3-2-5-21-13/h4,6-8,13H,2-3,5,9-11H2,1H3,(H,17,18,19)/t13-/m1/s1
InChIKeyNBLNQOSTRRIBHE-CYBMUJFWSA-N
MW319.43 g/mol
LogP2.16
Rot. Bonds7

About 5-[[methyl(1,3-thiazol-2-ylmethyl)amino]methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine

5-[[methyl(1,3-thiazol-2-ylmethyl)amino]methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine (PubChem CID 99928673) has the molecular formula C15H21N5OS and a molecular weight of 319.43 g/mol. Its IUPAC name is 5-[[methyl(1,3-thiazol-2-ylmethyl)amino]methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-[[methyl(1,3-thiazol-2-ylmethyl)amino]methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine
PubChem CID99928673
Molecular FormulaC15H21N5OS
Molecular Weight319.43 g/mol
Exact Mass319.15
IUPAC Name5-[[methyl(1,3-thiazol-2-ylmethyl)amino]methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine
SMILESCN(Cc1cnc(NC[C@H]2CCCO2)nc1)Cc1nccs1
InChIInChI=1S/C15H21N5OS/c1-20(11-14-16-4-6-22-14)10-12-7-17-15(18-8-12)19-9-13-3-2-5-21-13/h4,6-8,13H,2-3,5,9-11H2,1H3,(H,17,18,19)/t13-/m1/s1
InChIKeyNBLNQOSTRRIBHE-CYBMUJFWSA-N
XLogP2.16
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[[methyl(1,3-thiazol-2-ylmethyl)amino]methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine?
The IUPAC name of 5-[[methyl(1,3-thiazol-2-ylmethyl)amino]methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine (CID 99928673) is 5-[[methyl(1,3-thiazol-2-ylmethyl)amino]methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine.
What is the SMILES notation for 5-[[methyl(1,3-thiazol-2-ylmethyl)amino]methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine?
The canonical SMILES for 5-[[methyl(1,3-thiazol-2-ylmethyl)amino]methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine is CN(Cc1cnc(NC[C@H]2CCCO2)nc1)Cc1nccs1.
What is the InChIKey of 5-[[methyl(1,3-thiazol-2-ylmethyl)amino]methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine?
The InChIKey is NBLNQOSTRRIBHE-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H21N5OS/c1-20(11-14-16-4-6-22-14)10-12-7-17-15(18-8-12)19-9-13-3-2-5-21-13/h4,6-8,13H,2-3,5,9-11H2,1H3,(H,17,18,19)/t13-/m1/s1.
What are the key properties of 5-[[methyl(1,3-thiazol-2-ylmethyl)amino]methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine?
5-[[methyl(1,3-thiazol-2-ylmethyl)amino]methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine has a molecular weight of 319.43 g/mol, XLogP of 2.16, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[methyl(1,3-thiazol-2-ylmethyl)amino]methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine is sourced from PubChem (CID 99928673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).