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

C9H10ClN3OS — CID 103320619

IUPAC2-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]propan-1-ol
SMILESCC(CO)Nc1nc(Cl)nc2sccc12
InChIInChI=1S/C9H10ClN3OS/c1-5(4-14)11-7-6-2-3-15-8(6)13-9(10)12-7/h2-3,5,14H,4H2,1H3,(H,11,12,13)
InChIKeyZRUVYFUABBJJLT-UHFFFAOYSA-N
MW243.72 g/mol
LogP2.14
Rot. Bonds3

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

2-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]propan-1-ol (PubChem CID 103320619) has the molecular formula C9H10ClN3OS and a molecular weight of 243.72 g/mol. Its IUPAC name is 2-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]propan-1-ol.

Molecular Properties

Compound Name2-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]propan-1-ol
PubChem CID103320619
Molecular FormulaC9H10ClN3OS
Molecular Weight243.72 g/mol
Exact Mass243.02
IUPAC Name2-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]propan-1-ol
SMILESCC(CO)Nc1nc(Cl)nc2sccc12
InChIInChI=1S/C9H10ClN3OS/c1-5(4-14)11-7-6-2-3-15-8(6)13-9(10)12-7/h2-3,5,14H,4H2,1H3,(H,11,12,13)
InChIKeyZRUVYFUABBJJLT-UHFFFAOYSA-N
XLogP2.14
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.72
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]-2-methylbutan-1-ol
CID 103322519
2-N-(2-chlorothieno[2,3-d]pyrimidin-4-yl)-1-N,1-N-dimethylpropane-1,2-diamine
CID 103322289
2-chloro-N-(4-methylsulfinylbutan-2-yl)thieno[2,3-d]pyrimidin-4-amine
CID 103322551
1-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]-3-methylbutan-2-ol
CID 103322549
2-chloro-N-pent-1-yn-3-ylthieno[2,3-d]pyrimidin-4-amine
CID 106232721
2-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]-N-cyclopropylpropanamide
CID 103322396
2-chloro-N-(2-ethylbutyl)thieno[2,3-d]pyrimidin-4-amine
CID 103322599
5-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]pentan-1-ol
CID 107318295
3-[[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]methyl]hexan-1-ol
CID 114145573
2-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]-N-ethylacetamide
CID 103320684
2-chloro-N-(3,3-dimethylbutyl)thieno[2,3-d]pyrimidin-4-amine
CID 103322597
4-[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]pentan-1-ol
CID 103329081

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]propan-1-ol?
The IUPAC name of 2-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]propan-1-ol (CID 103320619) is 2-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]propan-1-ol.
What is the SMILES notation for 2-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]propan-1-ol?
The canonical SMILES for 2-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]propan-1-ol is CC(CO)Nc1nc(Cl)nc2sccc12.
What is the InChIKey of 2-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]propan-1-ol?
The InChIKey is ZRUVYFUABBJJLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN3OS/c1-5(4-14)11-7-6-2-3-15-8(6)13-9(10)12-7/h2-3,5,14H,4H2,1H3,(H,11,12,13).
What are the key properties of 2-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]propan-1-ol?
2-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]propan-1-ol has a molecular weight of 243.72 g/mol, XLogP of 2.14, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]propan-1-ol is sourced from PubChem (CID 103320619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).