N'-ethyl-N'-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)ethane-1,2-diamine

C14H21N5OS — CID 154167582

IUPACN'-ethyl-N'-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)ethane-1,2-diamine
SMILESCCN(CCN)c1nc(N2CCOCC2)c2sccc2n1
InChIInChI=1S/C14H21N5OS/c1-2-18(5-4-15)14-16-11-3-10-21-12(11)13(17-14)19-6-8-20-9-7-19/h3,10H,2,4-9,15H2,1H3
InChIKeyCBXSTBVBTBFBBE-UHFFFAOYSA-N
MW307.42 g/mol
LogP1.31
Rot. Bonds5

About N'-ethyl-N'-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)ethane-1,2-diamine

N'-ethyl-N'-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)ethane-1,2-diamine (PubChem CID 154167582) has the molecular formula C14H21N5OS and a molecular weight of 307.42 g/mol. Its IUPAC name is N'-ethyl-N'-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-ethyl-N'-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)ethane-1,2-diamine
PubChem CID154167582
Molecular FormulaC14H21N5OS
Molecular Weight307.42 g/mol
Exact Mass307.15
IUPAC NameN'-ethyl-N'-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)ethane-1,2-diamine
SMILESCCN(CCN)c1nc(N2CCOCC2)c2sccc2n1
InChIInChI=1S/C14H21N5OS/c1-2-18(5-4-15)14-16-11-3-10-21-12(11)13(17-14)19-6-8-20-9-7-19/h3,10H,2,4-9,15H2,1H3
InChIKeyCBXSTBVBTBFBBE-UHFFFAOYSA-N
XLogP1.31
TPSA67.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N'-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)ethane-1,2-diamine?
The IUPAC name of N'-ethyl-N'-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)ethane-1,2-diamine (CID 154167582) is N'-ethyl-N'-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-ethyl-N'-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)ethane-1,2-diamine?
The canonical SMILES for N'-ethyl-N'-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)ethane-1,2-diamine is CCN(CCN)c1nc(N2CCOCC2)c2sccc2n1.
What is the InChIKey of N'-ethyl-N'-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)ethane-1,2-diamine?
The InChIKey is CBXSTBVBTBFBBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5OS/c1-2-18(5-4-15)14-16-11-3-10-21-12(11)13(17-14)19-6-8-20-9-7-19/h3,10H,2,4-9,15H2,1H3.
What are the key properties of N'-ethyl-N'-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)ethane-1,2-diamine?
N'-ethyl-N'-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)ethane-1,2-diamine has a molecular weight of 307.42 g/mol, XLogP of 1.31, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N'-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 154167582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).