3-[(5-chlorothieno[2,3-d]pyrimidin-4-yl)amino]propan-1-ol

C9H10ClN3OS — CID 15745923

IUPAC3-[(5-chlorothieno[2,3-d]pyrimidin-4-yl)amino]propan-1-ol
SMILESOCCCNc1ncnc2scc(Cl)c12
InChIInChI=1S/C9H10ClN3OS/c10-6-4-15-9-7(6)8(12-5-13-9)11-2-1-3-14/h4-5,14H,1-3H2,(H,11,12,13)
InChIKeyDNOQJTCJCVUESU-UHFFFAOYSA-N
MW243.72 g/mol
LogP2.14
Rot. Bonds4

About 3-[(5-chlorothieno[2,3-d]pyrimidin-4-yl)amino]propan-1-ol

3-[(5-chlorothieno[2,3-d]pyrimidin-4-yl)amino]propan-1-ol (PubChem CID 15745923) has the molecular formula C9H10ClN3OS and a molecular weight of 243.72 g/mol. Its IUPAC name is 3-[(5-chlorothieno[2,3-d]pyrimidin-4-yl)amino]propan-1-ol.

Molecular Properties

Compound Name3-[(5-chlorothieno[2,3-d]pyrimidin-4-yl)amino]propan-1-ol
PubChem CID15745923
Molecular FormulaC9H10ClN3OS
Molecular Weight243.72 g/mol
Exact Mass243.02
IUPAC Name3-[(5-chlorothieno[2,3-d]pyrimidin-4-yl)amino]propan-1-ol
SMILESOCCCNc1ncnc2scc(Cl)c12
InChIInChI=1S/C9H10ClN3OS/c10-6-4-15-9-7(6)8(12-5-13-9)11-2-1-3-14/h4-5,14H,1-3H2,(H,11,12,13)
InChIKeyDNOQJTCJCVUESU-UHFFFAOYSA-N
XLogP2.14
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]pentan-1-ol
CID 28849745
5-chloro-N-prop-2-enylthieno[2,3-d]pyrimidin-4-amine
CID 15746030
(5-chlorothieno[2,3-d]pyrimidin-4-yl)hydrazine
CID 15746070
3-([1,3]thiazolo[5,4-d]pyrimidin-7-ylamino)propan-1-ol
CID 131026666
N'-[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]propane-1,3-diamine
CID 28850288
methyl 4-[[(5-chlorothieno[2,3-d]pyrimidin-4-yl)amino]methyl]benzoate
CID 58629113
methyl 4-(3-hydroxypropylamino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate
CID 28849922
2-chloro-N-[2-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]benzamide
CID 46443926
tert-butyl 4-[[(5-chlorothieno[2,3-d]pyrimidin-4-yl)amino]methyl]benzoate
CID 58629106
5-chloro-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]thieno[2,3-d]pyrimidin-4-amine
CID 50914309
4-[[5-(4-ethylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]butanoic acid
CID 28840699
3-[[5-chloro-6-(difluoromethyl)pyrimidin-4-yl]amino]propan-1-ol
CID 171390658

Frequently Asked Questions

What is the IUPAC name of 3-[(5-chlorothieno[2,3-d]pyrimidin-4-yl)amino]propan-1-ol?
The IUPAC name of 3-[(5-chlorothieno[2,3-d]pyrimidin-4-yl)amino]propan-1-ol (CID 15745923) is 3-[(5-chlorothieno[2,3-d]pyrimidin-4-yl)amino]propan-1-ol.
What is the SMILES notation for 3-[(5-chlorothieno[2,3-d]pyrimidin-4-yl)amino]propan-1-ol?
The canonical SMILES for 3-[(5-chlorothieno[2,3-d]pyrimidin-4-yl)amino]propan-1-ol is OCCCNc1ncnc2scc(Cl)c12.
What is the InChIKey of 3-[(5-chlorothieno[2,3-d]pyrimidin-4-yl)amino]propan-1-ol?
The InChIKey is DNOQJTCJCVUESU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN3OS/c10-6-4-15-9-7(6)8(12-5-13-9)11-2-1-3-14/h4-5,14H,1-3H2,(H,11,12,13).
What are the key properties of 3-[(5-chlorothieno[2,3-d]pyrimidin-4-yl)amino]propan-1-ol?
3-[(5-chlorothieno[2,3-d]pyrimidin-4-yl)amino]propan-1-ol has a molecular weight of 243.72 g/mol, XLogP of 2.14, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chlorothieno[2,3-d]pyrimidin-4-yl)amino]propan-1-ol is sourced from PubChem (CID 15745923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).