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

C15H14ClN3OS — CID 9310899

IUPAC(2R)-1-[[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]propan-2-ol
SMILESC[C@@H](O)CNc1ncnc2scc(-c3ccc(Cl)cc3)c12
InChIInChI=1S/C15H14ClN3OS/c1-9(20)6-17-14-13-12(7-21-15(13)19-8-18-14)10-2-4-11(16)5-3-10/h2-5,7-9,20H,6H2,1H3,(H,17,18,19)/t9-/m1/s1
InChIKeyDGIIGHRWCNIMCT-SECBINFHSA-N
MW319.82 g/mol
LogP3.80
Rot. Bonds4

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

(2R)-1-[[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]propan-2-ol (PubChem CID 9310899) has the molecular formula C15H14ClN3OS and a molecular weight of 319.82 g/mol. Its IUPAC name is (2R)-1-[[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]propan-2-ol
PubChem CID9310899
Molecular FormulaC15H14ClN3OS
Molecular Weight319.82 g/mol
Exact Mass319.05
IUPAC Name(2R)-1-[[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]propan-2-ol
SMILESC[C@@H](O)CNc1ncnc2scc(-c3ccc(Cl)cc3)c12
InChIInChI=1S/C15H14ClN3OS/c1-9(20)6-17-14-13-12(7-21-15(13)19-8-18-14)10-2-4-11(16)5-3-10/h2-5,7-9,20H,6H2,1H3,(H,17,18,19)/t9-/m1/s1
InChIKeyDGIIGHRWCNIMCT-SECBINFHSA-N
XLogP3.80
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.82
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2R)-1-[[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]propan-2-ol with MolForge

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Related Compounds

5-(4-chlorophenyl)-N-[(2R)-3-methyl-2-(4-methylpiperazin-1-yl)butyl]thieno[2,3-d]pyrimidin-4-amine
CID 30739071
5-(4-chlorophenyl)-N-[(4-methylphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 17010811
N'-[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]propane-1,3-diamine
CID 28850288
(2S)-1-N-[5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]propane-1,2-diamine
CID 166304017
5-(4-chlorophenyl)-N-(3,5-dimethylphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 3820162
2-[2-[[5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]ethoxy]ethanol
CID 2076539
5-(4-chlorophenyl)-N-(oxolan-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 2791477
N'-[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]-N-naphthalen-1-ylethane-1,2-diamine
CID 28505096
5-(4-chlorophenyl)-N-(2,6-dichlorophenyl)thieno[2,3-d]pyrimidin-4-amine
CID 28695571
N-(5-chloro-2-methylphenyl)-5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-amine
CID 21009781
5-(4-propan-2-ylphenyl)-N-(pyridin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 110496254
5-(4-chlorophenyl)-N-[(2,4-dimethoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 46347959

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]propan-2-ol?
The IUPAC name of (2R)-1-[[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]propan-2-ol (CID 9310899) is (2R)-1-[[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]propan-2-ol.
What is the SMILES notation for (2R)-1-[[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]propan-2-ol?
The canonical SMILES for (2R)-1-[[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]propan-2-ol is C[C@@H](O)CNc1ncnc2scc(-c3ccc(Cl)cc3)c12.
What is the InChIKey of (2R)-1-[[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]propan-2-ol?
The InChIKey is DGIIGHRWCNIMCT-SECBINFHSA-N. The full InChI is InChI=1S/C15H14ClN3OS/c1-9(20)6-17-14-13-12(7-21-15(13)19-8-18-14)10-2-4-11(16)5-3-10/h2-5,7-9,20H,6H2,1H3,(H,17,18,19)/t9-/m1/s1.
What are the key properties of (2R)-1-[[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]propan-2-ol?
(2R)-1-[[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]propan-2-ol has a molecular weight of 319.82 g/mol, XLogP of 3.80, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]propan-2-ol is sourced from PubChem (CID 9310899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).