2-[[2-methyl-6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]-(1,3-thiazol-2-ylmethyl)amino]ethanol

C15H20N4O2S — CID 126452469

IUPAC2-[[2-methyl-6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]-(1,3-thiazol-2-ylmethyl)amino]ethanol
SMILESCc1nc([C@H]2CCOC2)cc(N(CCO)Cc2nccs2)n1
InChIInChI=1S/C15H20N4O2S/c1-11-17-13(12-2-6-21-10-12)8-14(18-11)19(4-5-20)9-15-16-3-7-22-15/h3,7-8,12,20H,2,4-6,9-10H2,1H3/t12-/m0/s1
InChIKeyYLZZKZPKRPDBLE-LBPRGKRZSA-N
MW320.42 g/mol
LogP1.74
Rot. Bonds6

About 2-[[2-methyl-6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]-(1,3-thiazol-2-ylmethyl)amino]ethanol

2-[[2-methyl-6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]-(1,3-thiazol-2-ylmethyl)amino]ethanol (PubChem CID 126452469) has the molecular formula C15H20N4O2S and a molecular weight of 320.42 g/mol. Its IUPAC name is 2-[[2-methyl-6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]-(1,3-thiazol-2-ylmethyl)amino]ethanol.

Molecular Properties

Compound Name2-[[2-methyl-6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]-(1,3-thiazol-2-ylmethyl)amino]ethanol
PubChem CID126452469
Molecular FormulaC15H20N4O2S
Molecular Weight320.42 g/mol
Exact Mass320.13
IUPAC Name2-[[2-methyl-6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]-(1,3-thiazol-2-ylmethyl)amino]ethanol
SMILESCc1nc([C@H]2CCOC2)cc(N(CCO)Cc2nccs2)n1
InChIInChI=1S/C15H20N4O2S/c1-11-17-13(12-2-6-21-10-12)8-14(18-11)19(4-5-20)9-15-16-3-7-22-15/h3,7-8,12,20H,2,4-6,9-10H2,1H3/t12-/m0/s1
InChIKeyYLZZKZPKRPDBLE-LBPRGKRZSA-N
XLogP1.74
TPSA71.37 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[[2-methyl-6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]-(1,3-thiazol-2-ylmethyl)amino]ethanol with MolForge

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Related Compounds

2-[(1-methylimidazol-2-yl)methyl-[2-methyl-6-(oxolan-3-yl)pyrimidin-4-yl]amino]ethanol
CID 118787676
3-[[2-methyl-6-(oxolan-3-yl)pyrimidin-4-yl]-(pyridin-4-ylmethyl)amino]propan-1-ol
CID 118794411
N'-benzyl-N,N-dimethyl-N'-[2-methyl-6-(oxolan-3-yl)pyrimidin-4-yl]ethane-1,2-diamine
CID 119074155
N-[(4-fluorophenyl)methyl]-2-methyl-6-(oxolan-3-yl)-N-(pyridin-4-ylmethyl)pyrimidin-4-amine
CID 119067183
N-[(4-fluorophenyl)methyl]-2-methyl-6-[(3S)-oxolan-3-yl]-N-(pyridin-4-ylmethyl)pyrimidin-4-amine
CID 126439203
N,2-dimethyl-6-[(3S)-oxolan-3-yl]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrimidin-4-amine
CID 126432434
N,2-dimethyl-6-(oxolan-3-yl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrimidin-4-amine
CID 119063368
N,N,N'-trimethyl-N'-[2-methyl-6-(oxolan-3-yl)pyrimidin-4-yl]ethane-1,2-diamine
CID 119064787
N-cyclopropyl-2-methyl-N-[(1-methylimidazol-2-yl)methyl]-6-[(3S)-oxolan-3-yl]pyrimidin-4-amine
CID 125167730
2-(methoxymethyl)-N-methyl-6-[(3S)-oxolan-3-yl]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrimidin-4-amine
CID 126448408
4-N-benzyl-4-N-[2-(dimethylamino)ethyl]-6-[(3R)-oxolan-3-yl]pyrimidine-2,4-diamine
CID 126443450
2-[cyclohexyl-[6-[(3S)-oxolan-3-yl]pyrimidin-4-yl]amino]ethanol
CID 125171874

Frequently Asked Questions

What is the IUPAC name of 2-[[2-methyl-6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]-(1,3-thiazol-2-ylmethyl)amino]ethanol?
The IUPAC name of 2-[[2-methyl-6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]-(1,3-thiazol-2-ylmethyl)amino]ethanol (CID 126452469) is 2-[[2-methyl-6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]-(1,3-thiazol-2-ylmethyl)amino]ethanol.
What is the SMILES notation for 2-[[2-methyl-6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]-(1,3-thiazol-2-ylmethyl)amino]ethanol?
The canonical SMILES for 2-[[2-methyl-6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]-(1,3-thiazol-2-ylmethyl)amino]ethanol is Cc1nc([C@H]2CCOC2)cc(N(CCO)Cc2nccs2)n1.
What is the InChIKey of 2-[[2-methyl-6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]-(1,3-thiazol-2-ylmethyl)amino]ethanol?
The InChIKey is YLZZKZPKRPDBLE-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H20N4O2S/c1-11-17-13(12-2-6-21-10-12)8-14(18-11)19(4-5-20)9-15-16-3-7-22-15/h3,7-8,12,20H,2,4-6,9-10H2,1H3/t12-/m0/s1.
What are the key properties of 2-[[2-methyl-6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]-(1,3-thiazol-2-ylmethyl)amino]ethanol?
2-[[2-methyl-6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]-(1,3-thiazol-2-ylmethyl)amino]ethanol has a molecular weight of 320.42 g/mol, XLogP of 1.74, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-methyl-6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]-(1,3-thiazol-2-ylmethyl)amino]ethanol is sourced from PubChem (CID 126452469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).