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

C16H22N4OS — CID 99944753

IUPAC5-[[methyl(thiophen-3-ylmethyl)amino]methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine
SMILESCN(Cc1cnc(NC[C@H]2CCCO2)nc1)Cc1ccsc1
InChIInChI=1S/C16H22N4OS/c1-20(10-13-4-6-22-12-13)11-14-7-17-16(18-8-14)19-9-15-3-2-5-21-15/h4,6-8,12,15H,2-3,5,9-11H2,1H3,(H,17,18,19)/t15-/m1/s1
InChIKeyQZTIGNVOKIESIZ-OAHLLOKOSA-N
MW318.45 g/mol
LogP2.76
Rot. Bonds7

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

5-[[methyl(thiophen-3-ylmethyl)amino]methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine (PubChem CID 99944753) has the molecular formula C16H22N4OS and a molecular weight of 318.45 g/mol. Its IUPAC name is 5-[[methyl(thiophen-3-ylmethyl)amino]methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-[[methyl(thiophen-3-ylmethyl)amino]methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine
PubChem CID99944753
Molecular FormulaC16H22N4OS
Molecular Weight318.45 g/mol
Exact Mass318.15
IUPAC Name5-[[methyl(thiophen-3-ylmethyl)amino]methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine
SMILESCN(Cc1cnc(NC[C@H]2CCCO2)nc1)Cc1ccsc1
InChIInChI=1S/C16H22N4OS/c1-20(10-13-4-6-22-12-13)11-14-7-17-16(18-8-14)19-9-15-3-2-5-21-15/h4,6-8,12,15H,2-3,5,9-11H2,1H3,(H,17,18,19)/t15-/m1/s1
InChIKeyQZTIGNVOKIESIZ-OAHLLOKOSA-N
XLogP2.76
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.45
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[[methyl(thiophen-3-ylmethyl)amino]methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[[methyl(thiophen-3-ylmethyl)amino]methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine?
The IUPAC name of 5-[[methyl(thiophen-3-ylmethyl)amino]methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine (CID 99944753) is 5-[[methyl(thiophen-3-ylmethyl)amino]methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine.
What is the SMILES notation for 5-[[methyl(thiophen-3-ylmethyl)amino]methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine?
The canonical SMILES for 5-[[methyl(thiophen-3-ylmethyl)amino]methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine is CN(Cc1cnc(NC[C@H]2CCCO2)nc1)Cc1ccsc1.
What is the InChIKey of 5-[[methyl(thiophen-3-ylmethyl)amino]methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine?
The InChIKey is QZTIGNVOKIESIZ-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H22N4OS/c1-20(10-13-4-6-22-12-13)11-14-7-17-16(18-8-14)19-9-15-3-2-5-21-15/h4,6-8,12,15H,2-3,5,9-11H2,1H3,(H,17,18,19)/t15-/m1/s1.
What are the key properties of 5-[[methyl(thiophen-3-ylmethyl)amino]methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine?
5-[[methyl(thiophen-3-ylmethyl)amino]methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine has a molecular weight of 318.45 g/mol, XLogP of 2.76, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[methyl(thiophen-3-ylmethyl)amino]methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine is sourced from PubChem (CID 99944753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).