1-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-ethylamino]-2-methylpropan-2-ol

C14H21N3OS — CID 78962197

IUPAC1-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-ethylamino]-2-methylpropan-2-ol
SMILESCCN(CC(C)(C)O)c1ncnc2sc(C)c(C)c12
InChIInChI=1S/C14H21N3OS/c1-6-17(7-14(4,5)18)12-11-9(2)10(3)19-13(11)16-8-15-12/h8,18H,6-7H2,1-5H3
InChIKeyBVPCDPJVJVBMTN-UHFFFAOYSA-N
MW279.41 g/mol
LogP2.91
Rot. Bonds4

About 1-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-ethylamino]-2-methylpropan-2-ol

1-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-ethylamino]-2-methylpropan-2-ol (PubChem CID 78962197) has the molecular formula C14H21N3OS and a molecular weight of 279.41 g/mol. Its IUPAC name is 1-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-ethylamino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-ethylamino]-2-methylpropan-2-ol
PubChem CID78962197
Molecular FormulaC14H21N3OS
Molecular Weight279.41 g/mol
Exact Mass279.14
IUPAC Name1-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-ethylamino]-2-methylpropan-2-ol
SMILESCCN(CC(C)(C)O)c1ncnc2sc(C)c(C)c12
InChIInChI=1S/C14H21N3OS/c1-6-17(7-14(4,5)18)12-11-9(2)10(3)19-13(11)16-8-15-12/h8,18H,6-7H2,1-5H3
InChIKeyBVPCDPJVJVBMTN-UHFFFAOYSA-N
XLogP2.91
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5,6-Dimethylthieno(2,3-d)pyrimidin-4-amine
CID 290232
5,6,7,8-Tetrahydrobenzo(4,5)thieno(2,3-d)pyrimidin-4-amine
CID 258149
2-[(5,6-Dimethylthieno[2,3-d]pyrimidin-4-yl)thio]-1-(4-morpholinyl)ethanone
CID 705250
5,6-Dimethyl-4-(methylsulfanyl)thieno[2,3-D]pyrimidine
CID 865968
2-[5-Methyl-6-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylacetic acid
CID 156016543
2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N,N-di(propan-2-yl)acetamide
CID 859560
2-(5,6-dimethylthiopheno[3,2-e]pyrimidin-4-ylthio)-N,N-diethylacetamide
CID 865962
3-(7-Methyl-2-methylsulfanyl-5,6,7,8-tetrahydro-pyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4-ylamino)-propa n-1-ol
CID 2009708
2-[Benzyl(thieno[2,3-d]pyrimidin-4-yl)amino]ethanol
CID 2453882
1-[3-[(5,6-Dimethylthieno[2,3-d]pyrimidin-4-yl)amino]propyl]pyrrolidin-2-one
CID 2576098
N-cyclohexyl-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine
CID 3426162
2-[Butyl-(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol
CID 4963499

Frequently Asked Questions

What is the IUPAC name of 1-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-ethylamino]-2-methylpropan-2-ol?
The IUPAC name of 1-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-ethylamino]-2-methylpropan-2-ol (CID 78962197) is 1-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-ethylamino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-ethylamino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-ethylamino]-2-methylpropan-2-ol is CCN(CC(C)(C)O)c1ncnc2sc(C)c(C)c12.
What is the InChIKey of 1-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-ethylamino]-2-methylpropan-2-ol?
The InChIKey is BVPCDPJVJVBMTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3OS/c1-6-17(7-14(4,5)18)12-11-9(2)10(3)19-13(11)16-8-15-12/h8,18H,6-7H2,1-5H3.
What are the key properties of 1-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-ethylamino]-2-methylpropan-2-ol?
1-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-ethylamino]-2-methylpropan-2-ol has a molecular weight of 279.41 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-ethylamino]-2-methylpropan-2-ol is sourced from PubChem (CID 78962197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).