5-chloro-N-(1-pyridin-2-yloxypropan-2-yl)thieno[2,3-d]pyrimidin-4-amine

C14H13ClN4OS — CID 58629102

IUPAC5-chloro-N-(1-pyridin-2-yloxypropan-2-yl)thieno[2,3-d]pyrimidin-4-amine
SMILESCC(COc1ccccn1)Nc1ncnc2scc(Cl)c12
InChIInChI=1S/C14H13ClN4OS/c1-9(6-20-11-4-2-3-5-16-11)19-13-12-10(15)7-21-14(12)18-8-17-13/h2-5,7-9H,6H2,1H3,(H,17,18,19)
InChIKeyBYAYSYIFDCGHLE-UHFFFAOYSA-N
MW320.81 g/mol
LogP3.62
Rot. Bonds5

About 5-chloro-N-(1-pyridin-2-yloxypropan-2-yl)thieno[2,3-d]pyrimidin-4-amine

5-chloro-N-(1-pyridin-2-yloxypropan-2-yl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 58629102) has the molecular formula C14H13ClN4OS and a molecular weight of 320.81 g/mol. Its IUPAC name is 5-chloro-N-(1-pyridin-2-yloxypropan-2-yl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5-chloro-N-(1-pyridin-2-yloxypropan-2-yl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID58629102
Molecular FormulaC14H13ClN4OS
Molecular Weight320.81 g/mol
Exact Mass320.05
IUPAC Name5-chloro-N-(1-pyridin-2-yloxypropan-2-yl)thieno[2,3-d]pyrimidin-4-amine
SMILESCC(COc1ccccn1)Nc1ncnc2scc(Cl)c12
InChIInChI=1S/C14H13ClN4OS/c1-9(6-20-11-4-2-3-5-16-11)19-13-12-10(15)7-21-14(12)18-8-17-13/h2-5,7-9H,6H2,1H3,(H,17,18,19)
InChIKeyBYAYSYIFDCGHLE-UHFFFAOYSA-N
XLogP3.62
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.81
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(1-pyridin-2-yloxypropan-2-yl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5-chloro-N-(1-pyridin-2-yloxypropan-2-yl)thieno[2,3-d]pyrimidin-4-amine (CID 58629102) is 5-chloro-N-(1-pyridin-2-yloxypropan-2-yl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5-chloro-N-(1-pyridin-2-yloxypropan-2-yl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5-chloro-N-(1-pyridin-2-yloxypropan-2-yl)thieno[2,3-d]pyrimidin-4-amine is CC(COc1ccccn1)Nc1ncnc2scc(Cl)c12.
What is the InChIKey of 5-chloro-N-(1-pyridin-2-yloxypropan-2-yl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is BYAYSYIFDCGHLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN4OS/c1-9(6-20-11-4-2-3-5-16-11)19-13-12-10(15)7-21-14(12)18-8-17-13/h2-5,7-9H,6H2,1H3,(H,17,18,19).
What are the key properties of 5-chloro-N-(1-pyridin-2-yloxypropan-2-yl)thieno[2,3-d]pyrimidin-4-amine?
5-chloro-N-(1-pyridin-2-yloxypropan-2-yl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 320.81 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(1-pyridin-2-yloxypropan-2-yl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 58629102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).