1-[(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]propan-2-ol

C11H16N4OS — CID 103324846

IUPAC1-[(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]propan-2-ol
SMILESCCc1cc2c(NCC(C)O)nc(N)nc2s1
InChIInChI=1S/C11H16N4OS/c1-3-7-4-8-9(13-5-6(2)16)14-11(12)15-10(8)17-7/h4,6,16H,3,5H2,1-2H3,(H3,12,13,14,15)
InChIKeyWVQBKOPBVXBQDV-UHFFFAOYSA-N
MW252.34 g/mol
LogP1.63
Rot. Bonds4

About 1-[(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]propan-2-ol

1-[(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]propan-2-ol (PubChem CID 103324846) has the molecular formula C11H16N4OS and a molecular weight of 252.34 g/mol. Its IUPAC name is 1-[(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]propan-2-ol.

Molecular Properties

Compound Name1-[(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]propan-2-ol
PubChem CID103324846
Molecular FormulaC11H16N4OS
Molecular Weight252.34 g/mol
Exact Mass252.10
IUPAC Name1-[(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]propan-2-ol
SMILESCCc1cc2c(NCC(C)O)nc(N)nc2s1
InChIInChI=1S/C11H16N4OS/c1-3-7-4-8-9(13-5-6(2)16)14-11(12)15-10(8)17-7/h4,6,16H,3,5H2,1-2H3,(H3,12,13,14,15)
InChIKeyWVQBKOPBVXBQDV-UHFFFAOYSA-N
XLogP1.63
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]propan-2-ol
CID 82022327
4-N-(2,2-difluoroethyl)-6-ethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103329333
4-[(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]pentan-2-ol
CID 103329690
6-ethyl-4-N-(2-pyrrolidin-1-ylpropyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103329267
6-ethyl-4-N-(5-methylhexyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103329299
4-N-(2,2-dimethylbutyl)-6-ethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103466671
6-ethyl-4-N-hexylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103328125
methyl 2-[(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]propanoate
CID 103326065
4-N-[3-(dimethylamino)-2,2-dimethylpropyl]-6-ethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324239
4-N-[4-(dimethylamino)butan-2-yl]-6-ethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103326193
6-ethyl-4-N-(2-methylsulfinylethyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103330088
6-ethyl-4-N-[(4-methylphenyl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103324414

Frequently Asked Questions

What is the IUPAC name of 1-[(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]propan-2-ol?
The IUPAC name of 1-[(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]propan-2-ol (CID 103324846) is 1-[(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]propan-2-ol.
What is the SMILES notation for 1-[(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]propan-2-ol?
The canonical SMILES for 1-[(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]propan-2-ol is CCc1cc2c(NCC(C)O)nc(N)nc2s1.
What is the InChIKey of 1-[(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]propan-2-ol?
The InChIKey is WVQBKOPBVXBQDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4OS/c1-3-7-4-8-9(13-5-6(2)16)14-11(12)15-10(8)17-7/h4,6,16H,3,5H2,1-2H3,(H3,12,13,14,15).
What are the key properties of 1-[(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]propan-2-ol?
1-[(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]propan-2-ol has a molecular weight of 252.34 g/mol, XLogP of 1.63, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]propan-2-ol is sourced from PubChem (CID 103324846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).