2-(5-chloro-2-fluorophenyl)-N-propylthieno[2,3-d]pyrimidin-4-amine

C15H13ClFN3S — CID 63487110

IUPAC2-(5-chloro-2-fluorophenyl)-N-propylthieno[2,3-d]pyrimidin-4-amine
SMILESCCCNc1nc(-c2cc(Cl)ccc2F)nc2sccc12
InChIInChI=1S/C15H13ClFN3S/c1-2-6-18-13-10-5-7-21-15(10)20-14(19-13)11-8-9(16)3-4-12(11)17/h3-5,7-8H,2,6H2,1H3,(H,18,19,20)
InChIKeyCTHIRFJIUQTNIN-UHFFFAOYSA-N
MW321.81 g/mol
LogP4.97
Rot. Bonds4

About 2-(5-chloro-2-fluorophenyl)-N-propylthieno[2,3-d]pyrimidin-4-amine

2-(5-chloro-2-fluorophenyl)-N-propylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 63487110) has the molecular formula C15H13ClFN3S and a molecular weight of 321.81 g/mol. Its IUPAC name is 2-(5-chloro-2-fluorophenyl)-N-propylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(5-chloro-2-fluorophenyl)-N-propylthieno[2,3-d]pyrimidin-4-amine
PubChem CID63487110
Molecular FormulaC15H13ClFN3S
Molecular Weight321.81 g/mol
Exact Mass321.05
IUPAC Name2-(5-chloro-2-fluorophenyl)-N-propylthieno[2,3-d]pyrimidin-4-amine
SMILESCCCNc1nc(-c2cc(Cl)ccc2F)nc2sccc12
InChIInChI=1S/C15H13ClFN3S/c1-2-6-18-13-10-5-7-21-15(10)20-14(19-13)11-8-9(16)3-4-12(11)17/h3-5,7-8H,2,6H2,1H3,(H,18,19,20)
InChIKeyCTHIRFJIUQTNIN-UHFFFAOYSA-N
XLogP4.97
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.81
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methyl-3-pyridinyl)-N-propylthieno[2,3-d]pyrimidin-4-amine
CID 114878694
2-(4-methylphenyl)-N-propylthieno[2,3-d]pyrimidin-4-amine
CID 63485547
2-phenyl-N-propylthieno[2,3-d]pyrimidin-4-amine
CID 13038355
N-ethyl-2-(2,3,4-trifluorophenyl)thieno[2,3-d]pyrimidin-4-amine
CID 107935507
4-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324043
2-(5-chloro-2-fluorophenyl)-N-ethyl-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 63618711
2-(3-methoxyphenyl)-N-propylthieno[2,3-d]pyrimidin-4-amine
CID 62188855
7-chloro-2-(4-methylthiophen-3-yl)-N-propylquinazolin-4-amine
CID 79808207
N-propyl-2-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine
CID 62189011
4-N-pentyl-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324258
2-(4-bromo-2-fluorophenyl)-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 114907043
2-N-propyl-4-N-(4,4,4-trifluorobutyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103329352

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-fluorophenyl)-N-propylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-(5-chloro-2-fluorophenyl)-N-propylthieno[2,3-d]pyrimidin-4-amine (CID 63487110) is 2-(5-chloro-2-fluorophenyl)-N-propylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-(5-chloro-2-fluorophenyl)-N-propylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-(5-chloro-2-fluorophenyl)-N-propylthieno[2,3-d]pyrimidin-4-amine is CCCNc1nc(-c2cc(Cl)ccc2F)nc2sccc12.
What is the InChIKey of 2-(5-chloro-2-fluorophenyl)-N-propylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is CTHIRFJIUQTNIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFN3S/c1-2-6-18-13-10-5-7-21-15(10)20-14(19-13)11-8-9(16)3-4-12(11)17/h3-5,7-8H,2,6H2,1H3,(H,18,19,20).
What are the key properties of 2-(5-chloro-2-fluorophenyl)-N-propylthieno[2,3-d]pyrimidin-4-amine?
2-(5-chloro-2-fluorophenyl)-N-propylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 321.81 g/mol, XLogP of 4.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-fluorophenyl)-N-propylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 63487110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).