N-[3-(aminomethyl)phenyl]-7-methylthieno[3,2-d]pyrimidin-4-amine

C14H14N4S — CID 102687355

IUPACN-[3-(aminomethyl)phenyl]-7-methylthieno[3,2-d]pyrimidin-4-amine
SMILESCc1csc2c(Nc3cccc(CN)c3)ncnc12
InChIInChI=1S/C14H14N4S/c1-9-7-19-13-12(9)16-8-17-14(13)18-11-4-2-3-10(5-11)6-15/h2-5,7-8H,6,15H2,1H3,(H,16,17,18)
InChIKeyCRKYIOQTPUQQFT-UHFFFAOYSA-N
MW270.36 g/mol
LogP3.20
Rot. Bonds3

About N-[3-(aminomethyl)phenyl]-7-methylthieno[3,2-d]pyrimidin-4-amine

N-[3-(aminomethyl)phenyl]-7-methylthieno[3,2-d]pyrimidin-4-amine (PubChem CID 102687355) has the molecular formula C14H14N4S and a molecular weight of 270.36 g/mol. Its IUPAC name is N-[3-(aminomethyl)phenyl]-7-methylthieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[3-(aminomethyl)phenyl]-7-methylthieno[3,2-d]pyrimidin-4-amine
PubChem CID102687355
Molecular FormulaC14H14N4S
Molecular Weight270.36 g/mol
Exact Mass270.09
IUPAC NameN-[3-(aminomethyl)phenyl]-7-methylthieno[3,2-d]pyrimidin-4-amine
SMILESCc1csc2c(Nc3cccc(CN)c3)ncnc12
InChIInChI=1S/C14H14N4S/c1-9-7-19-13-12(9)16-8-17-14(13)18-11-4-2-3-10(5-11)6-15/h2-5,7-8H,6,15H2,1H3,(H,16,17,18)
InChIKeyCRKYIOQTPUQQFT-UHFFFAOYSA-N
XLogP3.20
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)phenyl]-7-methylthieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of N-[3-(aminomethyl)phenyl]-7-methylthieno[3,2-d]pyrimidin-4-amine (CID 102687355) is N-[3-(aminomethyl)phenyl]-7-methylthieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for N-[3-(aminomethyl)phenyl]-7-methylthieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for N-[3-(aminomethyl)phenyl]-7-methylthieno[3,2-d]pyrimidin-4-amine is Cc1csc2c(Nc3cccc(CN)c3)ncnc12.
What is the InChIKey of N-[3-(aminomethyl)phenyl]-7-methylthieno[3,2-d]pyrimidin-4-amine?
The InChIKey is CRKYIOQTPUQQFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4S/c1-9-7-19-13-12(9)16-8-17-14(13)18-11-4-2-3-10(5-11)6-15/h2-5,7-8H,6,15H2,1H3,(H,16,17,18).
What are the key properties of N-[3-(aminomethyl)phenyl]-7-methylthieno[3,2-d]pyrimidin-4-amine?
N-[3-(aminomethyl)phenyl]-7-methylthieno[3,2-d]pyrimidin-4-amine has a molecular weight of 270.36 g/mol, XLogP of 3.20, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)phenyl]-7-methylthieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 102687355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).