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

C12H18N4OS — CID 103324825

IUPAC2-[[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]butan-1-ol
SMILESCCNc1nc(NC(CC)CO)c2ccsc2n1
InChIInChI=1S/C12H18N4OS/c1-3-8(7-17)14-10-9-5-6-18-11(9)16-12(15-10)13-4-2/h5-6,8,17H,3-4,7H2,1-2H3,(H2,13,14,15,16)
InChIKeyPQKCPLKHNYMWSN-UHFFFAOYSA-N
MW266.37 g/mol
LogP2.31
Rot. Bonds6

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

2-[[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]butan-1-ol (PubChem CID 103324825) has the molecular formula C12H18N4OS and a molecular weight of 266.37 g/mol. Its IUPAC name is 2-[[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]butan-1-ol.

Molecular Properties

Compound Name2-[[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]butan-1-ol
PubChem CID103324825
Molecular FormulaC12H18N4OS
Molecular Weight266.37 g/mol
Exact Mass266.12
IUPAC Name2-[[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]butan-1-ol
SMILESCCNc1nc(NC(CC)CO)c2ccsc2n1
InChIInChI=1S/C12H18N4OS/c1-3-8(7-17)14-10-9-5-6-18-11(9)16-12(15-10)13-4-2/h5-6,8,17H,3-4,7H2,1-2H3,(H2,13,14,15,16)
InChIKeyPQKCPLKHNYMWSN-UHFFFAOYSA-N
XLogP2.31
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-[[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]-2-methylbutan-1-ol
CID 103330143
4-N-pentan-3-yl-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324118
2-N-ethyl-4-N-(4-methylhexan-2-yl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103328574
2-N-ethyl-4-N-(2-methylpropyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103324100
2-ethyl-2-[[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]butan-1-ol
CID 103327286
2-N-ethyl-4-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103328270
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
4-N-(1-cyclopropylbutan-2-yl)-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103328065
4-N-benzyl-2-N-ethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324221
N-[2-[[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]ethyl]acetamide
CID 103325026

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]butan-1-ol?
The IUPAC name of 2-[[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]butan-1-ol (CID 103324825) is 2-[[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]butan-1-ol.
What is the SMILES notation for 2-[[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]butan-1-ol?
The canonical SMILES for 2-[[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]butan-1-ol is CCNc1nc(NC(CC)CO)c2ccsc2n1.
What is the InChIKey of 2-[[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]butan-1-ol?
The InChIKey is PQKCPLKHNYMWSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4OS/c1-3-8(7-17)14-10-9-5-6-18-11(9)16-12(15-10)13-4-2/h5-6,8,17H,3-4,7H2,1-2H3,(H2,13,14,15,16).
What are the key properties of 2-[[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]butan-1-ol?
2-[[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]butan-1-ol has a molecular weight of 266.37 g/mol, XLogP of 2.31, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]butan-1-ol is sourced from PubChem (CID 103324825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).