2-[(N-methylanilino)methyl]thieno[2,3-d]pyrimidin-4-amine

C14H14N4S — CID 62177002

IUPAC2-[(N-methylanilino)methyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCN(Cc1nc(N)c2ccsc2n1)c1ccccc1
InChIInChI=1S/C14H14N4S/c1-18(10-5-3-2-4-6-10)9-12-16-13(15)11-7-8-19-14(11)17-12/h2-8H,9H2,1H3,(H2,15,16,17)
InChIKeyLQHKUBWSJRIAQY-UHFFFAOYSA-N
MW270.36 g/mol
LogP2.91
Rot. Bonds3

About 2-[(N-methylanilino)methyl]thieno[2,3-d]pyrimidin-4-amine

2-[(N-methylanilino)methyl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 62177002) has the molecular formula C14H14N4S and a molecular weight of 270.36 g/mol. Its IUPAC name is 2-[(N-methylanilino)methyl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[(N-methylanilino)methyl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID62177002
Molecular FormulaC14H14N4S
Molecular Weight270.36 g/mol
Exact Mass270.09
IUPAC Name2-[(N-methylanilino)methyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCN(Cc1nc(N)c2ccsc2n1)c1ccccc1
InChIInChI=1S/C14H14N4S/c1-18(10-5-3-2-4-6-10)9-12-16-13(15)11-7-8-19-14(11)17-12/h2-8H,9H2,1H3,(H2,15,16,17)
InChIKeyLQHKUBWSJRIAQY-UHFFFAOYSA-N
XLogP2.91
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(N-methylanilino)methyl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-[(N-methylanilino)methyl]thieno[2,3-d]pyrimidin-4-amine (CID 62177002) is 2-[(N-methylanilino)methyl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-[(N-methylanilino)methyl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-[(N-methylanilino)methyl]thieno[2,3-d]pyrimidin-4-amine is CN(Cc1nc(N)c2ccsc2n1)c1ccccc1.
What is the InChIKey of 2-[(N-methylanilino)methyl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is LQHKUBWSJRIAQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4S/c1-18(10-5-3-2-4-6-10)9-12-16-13(15)11-7-8-19-14(11)17-12/h2-8H,9H2,1H3,(H2,15,16,17).
What are the key properties of 2-[(N-methylanilino)methyl]thieno[2,3-d]pyrimidin-4-amine?
2-[(N-methylanilino)methyl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 270.36 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(N-methylanilino)methyl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 62177002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).