3-[[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]-2-methylbutan-1-ol

C13H20N4OS — CID 103330143

IUPAC3-[[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]-2-methylbutan-1-ol
SMILESCCNc1nc(NC(C)C(C)CO)c2ccsc2n1
InChIInChI=1S/C13H20N4OS/c1-4-14-13-16-11(15-9(3)8(2)7-18)10-5-6-19-12(10)17-13/h5-6,8-9,18H,4,7H2,1-3H3,(H2,14,15,16,17)
InChIKeyNZRWMMHUIXHROQ-UHFFFAOYSA-N
MW280.40 g/mol
LogP2.55
Rot. Bonds6

About 3-[[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]-2-methylbutan-1-ol

3-[[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]-2-methylbutan-1-ol (PubChem CID 103330143) has the molecular formula C13H20N4OS and a molecular weight of 280.40 g/mol. Its IUPAC name is 3-[[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]-2-methylbutan-1-ol.

Molecular Properties

Compound Name3-[[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]-2-methylbutan-1-ol
PubChem CID103330143
Molecular FormulaC13H20N4OS
Molecular Weight280.40 g/mol
Exact Mass280.14
IUPAC Name3-[[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]-2-methylbutan-1-ol
SMILESCCNc1nc(NC(C)C(C)CO)c2ccsc2n1
InChIInChI=1S/C13H20N4OS/c1-4-14-13-16-11(15-9(3)8(2)7-18)10-5-6-19-12(10)17-13/h5-6,8-9,18H,4,7H2,1-3H3,(H2,14,15,16,17)
InChIKeyNZRWMMHUIXHROQ-UHFFFAOYSA-N
XLogP2.55
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.40
LogP ≤ 52.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]butan-1-ol
CID 103324825
3-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]-2-methylbutan-1-ol
CID 103322519
2-N-ethyl-4-N-(2-methylpropyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103324100
2-N-ethyl-4-N-(4-methylhexan-2-yl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103328574
2-N-ethyl-4-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103328270
2-ethyl-2-[[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]butan-1-ol
CID 103327286
4-N-butyl-2-N-ethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324250
[1-[[[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]cyclopropyl]methanol
CID 103329346
2-N-ethyl-4-N-pentylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324261
3-[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]sulfanylbutan-2-ol
CID 107772919
2-N-ethyl-4-N-[2-(2-methylpropoxy)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103330597
4-N-benzyl-2-N-ethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324221

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]-2-methylbutan-1-ol?
The IUPAC name of 3-[[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]-2-methylbutan-1-ol (CID 103330143) is 3-[[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]-2-methylbutan-1-ol.
What is the SMILES notation for 3-[[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]-2-methylbutan-1-ol?
The canonical SMILES for 3-[[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]-2-methylbutan-1-ol is CCNc1nc(NC(C)C(C)CO)c2ccsc2n1.
What is the InChIKey of 3-[[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]-2-methylbutan-1-ol?
The InChIKey is NZRWMMHUIXHROQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4OS/c1-4-14-13-16-11(15-9(3)8(2)7-18)10-5-6-19-12(10)17-13/h5-6,8-9,18H,4,7H2,1-3H3,(H2,14,15,16,17).
What are the key properties of 3-[[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]-2-methylbutan-1-ol?
3-[[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]-2-methylbutan-1-ol has a molecular weight of 280.40 g/mol, XLogP of 2.55, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]-2-methylbutan-1-ol is sourced from PubChem (CID 103330143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).