N'-[5-(4-ethylphenyl)-2-methylthieno[2,3-d]pyrimidin-4-yl]ethane-1,2-diamine

C17H20N4S — CID 28852901

IUPACN'-[5-(4-ethylphenyl)-2-methylthieno[2,3-d]pyrimidin-4-yl]ethane-1,2-diamine
SMILESCCc1ccc(-c2csc3nc(C)nc(NCCN)c23)cc1
InChIInChI=1S/C17H20N4S/c1-3-12-4-6-13(7-5-12)14-10-22-17-15(14)16(19-9-8-18)20-11(2)21-17/h4-7,10H,3,8-9,18H2,1-2H3,(H,19,20,21)
InChIKeyUSHNICABCJKQGO-UHFFFAOYSA-N
MW312.44 g/mol
LogP3.60
Rot. Bonds5

About N'-[5-(4-ethylphenyl)-2-methylthieno[2,3-d]pyrimidin-4-yl]ethane-1,2-diamine

N'-[5-(4-ethylphenyl)-2-methylthieno[2,3-d]pyrimidin-4-yl]ethane-1,2-diamine (PubChem CID 28852901) has the molecular formula C17H20N4S and a molecular weight of 312.44 g/mol. Its IUPAC name is N'-[5-(4-ethylphenyl)-2-methylthieno[2,3-d]pyrimidin-4-yl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[5-(4-ethylphenyl)-2-methylthieno[2,3-d]pyrimidin-4-yl]ethane-1,2-diamine
PubChem CID28852901
Molecular FormulaC17H20N4S
Molecular Weight312.44 g/mol
Exact Mass312.14
IUPAC NameN'-[5-(4-ethylphenyl)-2-methylthieno[2,3-d]pyrimidin-4-yl]ethane-1,2-diamine
SMILESCCc1ccc(-c2csc3nc(C)nc(NCCN)c23)cc1
InChIInChI=1S/C17H20N4S/c1-3-12-4-6-13(7-5-12)14-10-22-17-15(14)16(19-9-8-18)20-11(2)21-17/h4-7,10H,3,8-9,18H2,1-2H3,(H,19,20,21)
InChIKeyUSHNICABCJKQGO-UHFFFAOYSA-N
XLogP3.60
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N'-[5-(4-ethylphenyl)-2-methylthieno[2,3-d]pyrimidin-4-yl]ethane-1,2-diamine?
The IUPAC name of N'-[5-(4-ethylphenyl)-2-methylthieno[2,3-d]pyrimidin-4-yl]ethane-1,2-diamine (CID 28852901) is N'-[5-(4-ethylphenyl)-2-methylthieno[2,3-d]pyrimidin-4-yl]ethane-1,2-diamine.
What is the SMILES notation for N'-[5-(4-ethylphenyl)-2-methylthieno[2,3-d]pyrimidin-4-yl]ethane-1,2-diamine?
The canonical SMILES for N'-[5-(4-ethylphenyl)-2-methylthieno[2,3-d]pyrimidin-4-yl]ethane-1,2-diamine is CCc1ccc(-c2csc3nc(C)nc(NCCN)c23)cc1.
What is the InChIKey of N'-[5-(4-ethylphenyl)-2-methylthieno[2,3-d]pyrimidin-4-yl]ethane-1,2-diamine?
The InChIKey is USHNICABCJKQGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4S/c1-3-12-4-6-13(7-5-12)14-10-22-17-15(14)16(19-9-8-18)20-11(2)21-17/h4-7,10H,3,8-9,18H2,1-2H3,(H,19,20,21).
What are the key properties of N'-[5-(4-ethylphenyl)-2-methylthieno[2,3-d]pyrimidin-4-yl]ethane-1,2-diamine?
N'-[5-(4-ethylphenyl)-2-methylthieno[2,3-d]pyrimidin-4-yl]ethane-1,2-diamine has a molecular weight of 312.44 g/mol, XLogP of 3.60, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-(4-ethylphenyl)-2-methylthieno[2,3-d]pyrimidin-4-yl]ethane-1,2-diamine is sourced from PubChem (CID 28852901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).