2-[(2,6-dimethyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)-methylamino]ethanol

C17H19N3OS — CID 28847381

IUPAC2-[(2,6-dimethyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)-methylamino]ethanol
SMILESCc1nc(N(C)CCO)c2c(-c3ccccc3)c(C)sc2n1
InChIInChI=1S/C17H19N3OS/c1-11-14(13-7-5-4-6-8-13)15-16(20(3)9-10-21)18-12(2)19-17(15)22-11/h4-8,21H,9-10H2,1-3H3
InChIKeyVHHKISMJUUQUCK-UHFFFAOYSA-N
MW313.43 g/mol
LogP3.40
Rot. Bonds4

About 2-[(2,6-dimethyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)-methylamino]ethanol

2-[(2,6-dimethyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)-methylamino]ethanol (PubChem CID 28847381) has the molecular formula C17H19N3OS and a molecular weight of 313.43 g/mol. Its IUPAC name is 2-[(2,6-dimethyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)-methylamino]ethanol.

Molecular Properties

Compound Name2-[(2,6-dimethyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)-methylamino]ethanol
PubChem CID28847381
Molecular FormulaC17H19N3OS
Molecular Weight313.43 g/mol
Exact Mass313.12
IUPAC Name2-[(2,6-dimethyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)-methylamino]ethanol
SMILESCc1nc(N(C)CCO)c2c(-c3ccccc3)c(C)sc2n1
InChIInChI=1S/C17H19N3OS/c1-11-14(13-7-5-4-6-8-13)15-16(20(3)9-10-21)18-12(2)19-17(15)22-11/h4-8,21H,9-10H2,1-3H3
InChIKeyVHHKISMJUUQUCK-UHFFFAOYSA-N
XLogP3.40
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.43
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[methyl-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol
CID 28847412
2-[[5-(4-bromophenyl)-6-methylthieno[2,3-d]pyrimidin-4-yl]-methylamino]ethanol
CID 28847320
2-[benzyl-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol
CID 28848532
2-[2-hydroxyethyl-(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol
CID 28848884
3-(2,6-dimethyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylpropanenitrile
CID 39159403
2-[(2-benzyl-6-isocyano-5-methylthieno[2,3-d]pyrimidin-4-yl)-methylamino]ethanol
CID 58727556
propan-2-yl 4-[2-hydroxyethyl(methyl)amino]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate
CID 28847415
4-[(2,6-dimethyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]benzoic acid
CID 28854062
2-[methyl-(5-phenyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol
CID 8933490
3-[(6-methyl-4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]propanoic acid
CID 23411399
2-[6-methyl-4-[(6-methyl-2-pyridinyl)methylamino]-5-phenylthieno[2,3-d]pyrimidin-2-yl]ethanol
CID 67382200
2-[2-hydroxyethyl-[2-methyl-5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]ethanol
CID 28848888

Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dimethyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)-methylamino]ethanol?
The IUPAC name of 2-[(2,6-dimethyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)-methylamino]ethanol (CID 28847381) is 2-[(2,6-dimethyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)-methylamino]ethanol.
What is the SMILES notation for 2-[(2,6-dimethyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)-methylamino]ethanol?
The canonical SMILES for 2-[(2,6-dimethyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)-methylamino]ethanol is Cc1nc(N(C)CCO)c2c(-c3ccccc3)c(C)sc2n1.
What is the InChIKey of 2-[(2,6-dimethyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)-methylamino]ethanol?
The InChIKey is VHHKISMJUUQUCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3OS/c1-11-14(13-7-5-4-6-8-13)15-16(20(3)9-10-21)18-12(2)19-17(15)22-11/h4-8,21H,9-10H2,1-3H3.
What are the key properties of 2-[(2,6-dimethyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)-methylamino]ethanol?
2-[(2,6-dimethyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)-methylamino]ethanol has a molecular weight of 313.43 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dimethyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)-methylamino]ethanol is sourced from PubChem (CID 28847381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).