5-chloro-N-[1-[2-(methoxymethyl)cyclopropyl]ethyl]thieno[2,3-d]pyrimidin-4-amine

C13H16ClN3OS — CID 58629036

IUPAC5-chloro-N-[1-[2-(methoxymethyl)cyclopropyl]ethyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCOCC1CC1C(C)Nc1ncnc2scc(Cl)c12
InChIInChI=1S/C13H16ClN3OS/c1-7(9-3-8(9)4-18-2)17-12-11-10(14)5-19-13(11)16-6-15-12/h5-9H,3-4H2,1-2H3,(H,15,16,17)
InChIKeyFBQKORHTXWPVID-UHFFFAOYSA-N
MW297.81 g/mol
LogP3.43
Rot. Bonds5

About 5-chloro-N-[1-[2-(methoxymethyl)cyclopropyl]ethyl]thieno[2,3-d]pyrimidin-4-amine

5-chloro-N-[1-[2-(methoxymethyl)cyclopropyl]ethyl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 58629036) has the molecular formula C13H16ClN3OS and a molecular weight of 297.81 g/mol. Its IUPAC name is 5-chloro-N-[1-[2-(methoxymethyl)cyclopropyl]ethyl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5-chloro-N-[1-[2-(methoxymethyl)cyclopropyl]ethyl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID58629036
Molecular FormulaC13H16ClN3OS
Molecular Weight297.81 g/mol
Exact Mass297.07
IUPAC Name5-chloro-N-[1-[2-(methoxymethyl)cyclopropyl]ethyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCOCC1CC1C(C)Nc1ncnc2scc(Cl)c12
InChIInChI=1S/C13H16ClN3OS/c1-7(9-3-8(9)4-18-2)17-12-11-10(14)5-19-13(11)16-6-15-12/h5-9H,3-4H2,1-2H3,(H,15,16,17)
InChIKeyFBQKORHTXWPVID-UHFFFAOYSA-N
XLogP3.43
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.81
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[1-[2-(methoxymethyl)cyclopropyl]ethyl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5-chloro-N-[1-[2-(methoxymethyl)cyclopropyl]ethyl]thieno[2,3-d]pyrimidin-4-amine (CID 58629036) is 5-chloro-N-[1-[2-(methoxymethyl)cyclopropyl]ethyl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5-chloro-N-[1-[2-(methoxymethyl)cyclopropyl]ethyl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5-chloro-N-[1-[2-(methoxymethyl)cyclopropyl]ethyl]thieno[2,3-d]pyrimidin-4-amine is COCC1CC1C(C)Nc1ncnc2scc(Cl)c12.
What is the InChIKey of 5-chloro-N-[1-[2-(methoxymethyl)cyclopropyl]ethyl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is FBQKORHTXWPVID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3OS/c1-7(9-3-8(9)4-18-2)17-12-11-10(14)5-19-13(11)16-6-15-12/h5-9H,3-4H2,1-2H3,(H,15,16,17).
What are the key properties of 5-chloro-N-[1-[2-(methoxymethyl)cyclopropyl]ethyl]thieno[2,3-d]pyrimidin-4-amine?
5-chloro-N-[1-[2-(methoxymethyl)cyclopropyl]ethyl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 297.81 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[1-[2-(methoxymethyl)cyclopropyl]ethyl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 58629036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).