3-[(2-aminothieno[2,3-d]pyrimidin-4-yl)amino]-4-methoxybutan-1-ol

C11H16N4O2S — CID 106163052

IUPAC3-[(2-aminothieno[2,3-d]pyrimidin-4-yl)amino]-4-methoxybutan-1-ol
SMILESCOCC(CCO)Nc1nc(N)nc2sccc12
InChIInChI=1S/C11H16N4O2S/c1-17-6-7(2-4-16)13-9-8-3-5-18-10(8)15-11(12)14-9/h3,5,7,16H,2,4,6H2,1H3,(H3,12,13,14,15)
InChIKeyPFLAQYOHMJXOQX-UHFFFAOYSA-N
MW268.34 g/mol
LogP1.08
Rot. Bonds6

About 3-[(2-aminothieno[2,3-d]pyrimidin-4-yl)amino]-4-methoxybutan-1-ol

3-[(2-aminothieno[2,3-d]pyrimidin-4-yl)amino]-4-methoxybutan-1-ol (PubChem CID 106163052) has the molecular formula C11H16N4O2S and a molecular weight of 268.34 g/mol. Its IUPAC name is 3-[(2-aminothieno[2,3-d]pyrimidin-4-yl)amino]-4-methoxybutan-1-ol.

Molecular Properties

Compound Name3-[(2-aminothieno[2,3-d]pyrimidin-4-yl)amino]-4-methoxybutan-1-ol
PubChem CID106163052
Molecular FormulaC11H16N4O2S
Molecular Weight268.34 g/mol
Exact Mass268.10
IUPAC Name3-[(2-aminothieno[2,3-d]pyrimidin-4-yl)amino]-4-methoxybutan-1-ol
SMILESCOCC(CCO)Nc1nc(N)nc2sccc12
InChIInChI=1S/C11H16N4O2S/c1-17-6-7(2-4-16)13-9-8-3-5-18-10(8)15-11(12)14-9/h3,5,7,16H,2,4,6H2,1H3,(H3,12,13,14,15)
InChIKeyPFLAQYOHMJXOQX-UHFFFAOYSA-N
XLogP1.08
TPSA93.29 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(2-aminothieno[2,3-d]pyrimidin-4-yl)amino]propanamide
CID 103325001
4-N-(3-methylbutyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103324290
5-[(2-aminothieno[2,3-d]pyrimidin-4-yl)amino]pentan-2-ol
CID 114148662
3-methoxy-2-N-thieno[2,3-d]pyrimidin-4-ylpropane-1,2-diamine
CID 106182134
2-[(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]-3-methoxypropan-1-ol
CID 114157121
2-[[(2-aminothieno[2,3-d]pyrimidin-4-yl)amino]methyl]-2-ethylbutan-1-ol
CID 106258455
4-N-(1-pyridin-2-ylethyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103324894
4-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324043
2-[(2-amino-5-chloropyrimidin-4-yl)amino]-3-methoxypropan-1-ol
CID 106198768
3-[(5-chloro-2-methoxypyrimidin-4-yl)amino]-4-methoxybutan-1-ol
CID 106157779
3-[(5-amino-3-chloro-2-pyridinyl)amino]-4-methoxybutan-1-ol
CID 106153927
3-[[2-amino-6-(ethylamino)pyrimidin-4-yl]amino]-4-methoxybutan-1-ol
CID 114152267

Frequently Asked Questions

What is the IUPAC name of 3-[(2-aminothieno[2,3-d]pyrimidin-4-yl)amino]-4-methoxybutan-1-ol?
The IUPAC name of 3-[(2-aminothieno[2,3-d]pyrimidin-4-yl)amino]-4-methoxybutan-1-ol (CID 106163052) is 3-[(2-aminothieno[2,3-d]pyrimidin-4-yl)amino]-4-methoxybutan-1-ol.
What is the SMILES notation for 3-[(2-aminothieno[2,3-d]pyrimidin-4-yl)amino]-4-methoxybutan-1-ol?
The canonical SMILES for 3-[(2-aminothieno[2,3-d]pyrimidin-4-yl)amino]-4-methoxybutan-1-ol is COCC(CCO)Nc1nc(N)nc2sccc12.
What is the InChIKey of 3-[(2-aminothieno[2,3-d]pyrimidin-4-yl)amino]-4-methoxybutan-1-ol?
The InChIKey is PFLAQYOHMJXOQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2S/c1-17-6-7(2-4-16)13-9-8-3-5-18-10(8)15-11(12)14-9/h3,5,7,16H,2,4,6H2,1H3,(H3,12,13,14,15).
What are the key properties of 3-[(2-aminothieno[2,3-d]pyrimidin-4-yl)amino]-4-methoxybutan-1-ol?
3-[(2-aminothieno[2,3-d]pyrimidin-4-yl)amino]-4-methoxybutan-1-ol has a molecular weight of 268.34 g/mol, XLogP of 1.08, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-aminothieno[2,3-d]pyrimidin-4-yl)amino]-4-methoxybutan-1-ol is sourced from PubChem (CID 106163052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).