N-[4-(aminomethyl)phenyl]-N-methylthieno[3,2-d]pyrimidin-4-amine

C14H14N4S — CID 55142521

IUPACN-[4-(aminomethyl)phenyl]-N-methylthieno[3,2-d]pyrimidin-4-amine
SMILESCN(c1ccc(CN)cc1)c1ncnc2ccsc12
InChIInChI=1S/C14H14N4S/c1-18(11-4-2-10(8-15)3-5-11)14-13-12(6-7-19-13)16-9-17-14/h2-7,9H,8,15H2,1H3
InChIKeyCNBVBDKUAFSCNM-UHFFFAOYSA-N
MW270.36 g/mol
LogP2.92
Rot. Bonds3

About N-[4-(aminomethyl)phenyl]-N-methylthieno[3,2-d]pyrimidin-4-amine

N-[4-(aminomethyl)phenyl]-N-methylthieno[3,2-d]pyrimidin-4-amine (PubChem CID 55142521) has the molecular formula C14H14N4S and a molecular weight of 270.36 g/mol. Its IUPAC name is N-[4-(aminomethyl)phenyl]-N-methylthieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[4-(aminomethyl)phenyl]-N-methylthieno[3,2-d]pyrimidin-4-amine
PubChem CID55142521
Molecular FormulaC14H14N4S
Molecular Weight270.36 g/mol
Exact Mass270.09
IUPAC NameN-[4-(aminomethyl)phenyl]-N-methylthieno[3,2-d]pyrimidin-4-amine
SMILESCN(c1ccc(CN)cc1)c1ncnc2ccsc12
InChIInChI=1S/C14H14N4S/c1-18(11-4-2-10(8-15)3-5-11)14-13-12(6-7-19-13)16-9-17-14/h2-7,9H,8,15H2,1H3
InChIKeyCNBVBDKUAFSCNM-UHFFFAOYSA-N
XLogP2.92
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 ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)phenyl]-N-methylthieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of N-[4-(aminomethyl)phenyl]-N-methylthieno[3,2-d]pyrimidin-4-amine (CID 55142521) is N-[4-(aminomethyl)phenyl]-N-methylthieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for N-[4-(aminomethyl)phenyl]-N-methylthieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for N-[4-(aminomethyl)phenyl]-N-methylthieno[3,2-d]pyrimidin-4-amine is CN(c1ccc(CN)cc1)c1ncnc2ccsc12.
What is the InChIKey of N-[4-(aminomethyl)phenyl]-N-methylthieno[3,2-d]pyrimidin-4-amine?
The InChIKey is CNBVBDKUAFSCNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4S/c1-18(11-4-2-10(8-15)3-5-11)14-13-12(6-7-19-13)16-9-17-14/h2-7,9H,8,15H2,1H3.
What are the key properties of N-[4-(aminomethyl)phenyl]-N-methylthieno[3,2-d]pyrimidin-4-amine?
N-[4-(aminomethyl)phenyl]-N-methylthieno[3,2-d]pyrimidin-4-amine has a molecular weight of 270.36 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)phenyl]-N-methylthieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 55142521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).