N-benzyl-6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-amine;hydrochloride

C16H18ClN3S — CID 6460630

IUPACN-benzyl-6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-amine;hydrochloride
SMILESCCc1cc2c(NCc3ccccc3)nc(C)nc2s1.Cl
InChIInChI=1S/C16H17N3S.ClH/c1-3-13-9-14-15(18-11(2)19-16(14)20-13)17-10-12-7-5-4-6-8-12;/h4-9H,3,10H2,1-2H3,(H,17,18,19);1H
InChIKeyJTHDDXPZNHLKKK-UHFFFAOYSA-N
MW319.86 g/mol
LogP4.60
Rot. Bonds4

About N-benzyl-6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-amine;hydrochloride

N-benzyl-6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-amine;hydrochloride (PubChem CID 6460630) has the molecular formula C16H18ClN3S and a molecular weight of 319.86 g/mol. Its IUPAC name is N-benzyl-6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-amine;hydrochloride.

Molecular Properties

Compound NameN-benzyl-6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-amine;hydrochloride
PubChem CID6460630
Molecular FormulaC16H18ClN3S
Molecular Weight319.86 g/mol
Exact Mass319.09
IUPAC NameN-benzyl-6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-amine;hydrochloride
SMILESCCc1cc2c(NCc3ccccc3)nc(C)nc2s1.Cl
InChIInChI=1S/C16H17N3S.ClH/c1-3-13-9-14-15(18-11(2)19-16(14)20-13)17-10-12-7-5-4-6-8-12;/h4-9H,3,10H2,1-2H3,(H,17,18,19);1H
InChIKeyJTHDDXPZNHLKKK-UHFFFAOYSA-N
XLogP4.60
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.86
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-amine;hydrochloride?
The IUPAC name of N-benzyl-6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-amine;hydrochloride (CID 6460630) is N-benzyl-6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-amine;hydrochloride.
What is the SMILES notation for N-benzyl-6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-amine;hydrochloride?
The canonical SMILES for N-benzyl-6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-amine;hydrochloride is CCc1cc2c(NCc3ccccc3)nc(C)nc2s1.Cl.
What is the InChIKey of N-benzyl-6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-amine;hydrochloride?
The InChIKey is JTHDDXPZNHLKKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3S.ClH/c1-3-13-9-14-15(18-11(2)19-16(14)20-13)17-10-12-7-5-4-6-8-12;/h4-9H,3,10H2,1-2H3,(H,17,18,19);1H.
What are the key properties of N-benzyl-6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-amine;hydrochloride?
N-benzyl-6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-amine;hydrochloride has a molecular weight of 319.86 g/mol, XLogP of 4.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-amine;hydrochloride is sourced from PubChem (CID 6460630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).