N-methyl-1-(4-thieno[2,3-d]pyrimidin-4-yloxyphenyl)methanamine

C14H13N3OS — CID 106486840

IUPACN-methyl-1-(4-thieno[2,3-d]pyrimidin-4-yloxyphenyl)methanamine
SMILESCNCc1ccc(Oc2ncnc3sccc23)cc1
InChIInChI=1S/C14H13N3OS/c1-15-8-10-2-4-11(5-3-10)18-13-12-6-7-19-14(12)17-9-16-13/h2-7,9,15H,8H2,1H3
InChIKeyDURSRPXCEBDNIB-UHFFFAOYSA-N
MW271.35 g/mol
LogP3.20
Rot. Bonds4

About N-methyl-1-(4-thieno[2,3-d]pyrimidin-4-yloxyphenyl)methanamine

N-methyl-1-(4-thieno[2,3-d]pyrimidin-4-yloxyphenyl)methanamine (PubChem CID 106486840) has the molecular formula C14H13N3OS and a molecular weight of 271.35 g/mol. Its IUPAC name is N-methyl-1-(4-thieno[2,3-d]pyrimidin-4-yloxyphenyl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(4-thieno[2,3-d]pyrimidin-4-yloxyphenyl)methanamine
PubChem CID106486840
Molecular FormulaC14H13N3OS
Molecular Weight271.35 g/mol
Exact Mass271.08
IUPAC NameN-methyl-1-(4-thieno[2,3-d]pyrimidin-4-yloxyphenyl)methanamine
SMILESCNCc1ccc(Oc2ncnc3sccc23)cc1
InChIInChI=1S/C14H13N3OS/c1-15-8-10-2-4-11(5-3-10)18-13-12-6-7-19-14(12)17-9-16-13/h2-7,9,15H,8H2,1H3
InChIKeyDURSRPXCEBDNIB-UHFFFAOYSA-N
XLogP3.20
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(4-thieno[2,3-d]pyrimidin-4-yloxyphenyl)methanamine?
The IUPAC name of N-methyl-1-(4-thieno[2,3-d]pyrimidin-4-yloxyphenyl)methanamine (CID 106486840) is N-methyl-1-(4-thieno[2,3-d]pyrimidin-4-yloxyphenyl)methanamine.
What is the SMILES notation for N-methyl-1-(4-thieno[2,3-d]pyrimidin-4-yloxyphenyl)methanamine?
The canonical SMILES for N-methyl-1-(4-thieno[2,3-d]pyrimidin-4-yloxyphenyl)methanamine is CNCc1ccc(Oc2ncnc3sccc23)cc1.
What is the InChIKey of N-methyl-1-(4-thieno[2,3-d]pyrimidin-4-yloxyphenyl)methanamine?
The InChIKey is DURSRPXCEBDNIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3OS/c1-15-8-10-2-4-11(5-3-10)18-13-12-6-7-19-14(12)17-9-16-13/h2-7,9,15H,8H2,1H3.
What are the key properties of N-methyl-1-(4-thieno[2,3-d]pyrimidin-4-yloxyphenyl)methanamine?
N-methyl-1-(4-thieno[2,3-d]pyrimidin-4-yloxyphenyl)methanamine has a molecular weight of 271.35 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(4-thieno[2,3-d]pyrimidin-4-yloxyphenyl)methanamine is sourced from PubChem (CID 106486840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).