N-[4-(aminomethyl)phenyl]-6-ethyl-N-methylthieno[2,3-d]pyrimidin-4-amine

C16H18N4S — CID 62972022

IUPACN-[4-(aminomethyl)phenyl]-6-ethyl-N-methylthieno[2,3-d]pyrimidin-4-amine
SMILESCCc1cc2c(N(C)c3ccc(CN)cc3)ncnc2s1
InChIInChI=1S/C16H18N4S/c1-3-13-8-14-15(18-10-19-16(14)21-13)20(2)12-6-4-11(9-17)5-7-12/h4-8,10H,3,9,17H2,1-2H3
InChIKeyQFHPCMDOHMXFJR-UHFFFAOYSA-N
MW298.42 g/mol
LogP3.48
Rot. Bonds4

About N-[4-(aminomethyl)phenyl]-6-ethyl-N-methylthieno[2,3-d]pyrimidin-4-amine

N-[4-(aminomethyl)phenyl]-6-ethyl-N-methylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 62972022) has the molecular formula C16H18N4S and a molecular weight of 298.42 g/mol. Its IUPAC name is N-[4-(aminomethyl)phenyl]-6-ethyl-N-methylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[4-(aminomethyl)phenyl]-6-ethyl-N-methylthieno[2,3-d]pyrimidin-4-amine
PubChem CID62972022
Molecular FormulaC16H18N4S
Molecular Weight298.42 g/mol
Exact Mass298.13
IUPAC NameN-[4-(aminomethyl)phenyl]-6-ethyl-N-methylthieno[2,3-d]pyrimidin-4-amine
SMILESCCc1cc2c(N(C)c3ccc(CN)cc3)ncnc2s1
InChIInChI=1S/C16H18N4S/c1-3-13-8-14-15(18-10-19-16(14)21-13)20(2)12-6-4-11(9-17)5-7-12/h4-8,10H,3,9,17H2,1-2H3
InChIKeyQFHPCMDOHMXFJR-UHFFFAOYSA-N
XLogP3.48
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.42
LogP ≤ 53.48
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]-6-ethyl-N-methylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[4-(aminomethyl)phenyl]-6-ethyl-N-methylthieno[2,3-d]pyrimidin-4-amine (CID 62972022) is N-[4-(aminomethyl)phenyl]-6-ethyl-N-methylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[4-(aminomethyl)phenyl]-6-ethyl-N-methylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[4-(aminomethyl)phenyl]-6-ethyl-N-methylthieno[2,3-d]pyrimidin-4-amine is CCc1cc2c(N(C)c3ccc(CN)cc3)ncnc2s1.
What is the InChIKey of N-[4-(aminomethyl)phenyl]-6-ethyl-N-methylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is QFHPCMDOHMXFJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4S/c1-3-13-8-14-15(18-10-19-16(14)21-13)20(2)12-6-4-11(9-17)5-7-12/h4-8,10H,3,9,17H2,1-2H3.
What are the key properties of N-[4-(aminomethyl)phenyl]-6-ethyl-N-methylthieno[2,3-d]pyrimidin-4-amine?
N-[4-(aminomethyl)phenyl]-6-ethyl-N-methylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 298.42 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)phenyl]-6-ethyl-N-methylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 62972022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).