N'-ethyl-N-propan-2-yl-N'-thieno[2,3-d]pyrimidin-4-ylethane-1,2-diamine

C13H20N4S — CID 62588191

IUPACN'-ethyl-N-propan-2-yl-N'-thieno[2,3-d]pyrimidin-4-ylethane-1,2-diamine
SMILESCCN(CCNC(C)C)c1ncnc2sccc12
InChIInChI=1S/C13H20N4S/c1-4-17(7-6-14-10(2)3)12-11-5-8-18-13(11)16-9-15-12/h5,8-10,14H,4,6-7H2,1-3H3
InChIKeyJSLUSAUJFWNFFS-UHFFFAOYSA-N
MW264.40 g/mol
LogP2.52
Rot. Bonds6

About N'-ethyl-N-propan-2-yl-N'-thieno[2,3-d]pyrimidin-4-ylethane-1,2-diamine

N'-ethyl-N-propan-2-yl-N'-thieno[2,3-d]pyrimidin-4-ylethane-1,2-diamine (PubChem CID 62588191) has the molecular formula C13H20N4S and a molecular weight of 264.40 g/mol. Its IUPAC name is N'-ethyl-N-propan-2-yl-N'-thieno[2,3-d]pyrimidin-4-ylethane-1,2-diamine.

Molecular Properties

Compound NameN'-ethyl-N-propan-2-yl-N'-thieno[2,3-d]pyrimidin-4-ylethane-1,2-diamine
PubChem CID62588191
Molecular FormulaC13H20N4S
Molecular Weight264.40 g/mol
Exact Mass264.14
IUPAC NameN'-ethyl-N-propan-2-yl-N'-thieno[2,3-d]pyrimidin-4-ylethane-1,2-diamine
SMILESCCN(CCNC(C)C)c1ncnc2sccc12
InChIInChI=1S/C13H20N4S/c1-4-17(7-6-14-10(2)3)12-11-5-8-18-13(11)16-9-15-12/h5,8-10,14H,4,6-7H2,1-3H3
InChIKeyJSLUSAUJFWNFFS-UHFFFAOYSA-N
XLogP2.52
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.40
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-bromoethyl)-N-ethylthieno[2,3-d]pyrimidin-4-amine
CID 80673016
N'-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N'-ethyl-N-propan-2-ylethane-1,2-diamine
CID 62585499
N-(2-chloroethyl)-N-pentan-3-ylthieno[2,3-d]pyrimidin-4-amine
CID 63390383
2,2-dimethyl-N'-propyl-N'-thieno[2,3-d]pyrimidin-4-ylpropane-1,3-diamine
CID 79662112
N-(5-chloro-2-methylphenyl)-2-[ethyl(thieno[2,3-d]pyrimidin-4-yl)amino]acetamide
CID 9112887
N'-(3,5-dibromo-2-pyridinyl)-N'-ethyl-N-propan-2-ylethane-1,2-diamine
CID 113413937
N'-ethyl-N'-(5-methyl-2-pyridinyl)-N-propan-2-ylethane-1,2-diamine
CID 62587829
N-cyclopropyl-N'-methyl-N'-thieno[2,3-d]pyrimidin-4-ylethane-1,2-diamine
CID 62587122
4-N-ethyl-2-N-methyl-4-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324590
N-[(2-aminophenyl)methyl]-N-propan-2-ylthieno[2,3-d]pyrimidin-4-amine
CID 60876647
N'-methyl-N'-(6-methylthieno[2,3-d]pyrimidin-4-yl)-N-propan-2-ylethane-1,2-diamine
CID 63617064
N'-ethyl-N-propan-2-yl-N'-pyrazolo[1,5-a]pyrazin-4-ylethane-1,2-diamine
CID 104733684

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N-propan-2-yl-N'-thieno[2,3-d]pyrimidin-4-ylethane-1,2-diamine?
The IUPAC name of N'-ethyl-N-propan-2-yl-N'-thieno[2,3-d]pyrimidin-4-ylethane-1,2-diamine (CID 62588191) is N'-ethyl-N-propan-2-yl-N'-thieno[2,3-d]pyrimidin-4-ylethane-1,2-diamine.
What is the SMILES notation for N'-ethyl-N-propan-2-yl-N'-thieno[2,3-d]pyrimidin-4-ylethane-1,2-diamine?
The canonical SMILES for N'-ethyl-N-propan-2-yl-N'-thieno[2,3-d]pyrimidin-4-ylethane-1,2-diamine is CCN(CCNC(C)C)c1ncnc2sccc12.
What is the InChIKey of N'-ethyl-N-propan-2-yl-N'-thieno[2,3-d]pyrimidin-4-ylethane-1,2-diamine?
The InChIKey is JSLUSAUJFWNFFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4S/c1-4-17(7-6-14-10(2)3)12-11-5-8-18-13(11)16-9-15-12/h5,8-10,14H,4,6-7H2,1-3H3.
What are the key properties of N'-ethyl-N-propan-2-yl-N'-thieno[2,3-d]pyrimidin-4-ylethane-1,2-diamine?
N'-ethyl-N-propan-2-yl-N'-thieno[2,3-d]pyrimidin-4-ylethane-1,2-diamine has a molecular weight of 264.40 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N-propan-2-yl-N'-thieno[2,3-d]pyrimidin-4-ylethane-1,2-diamine is sourced from PubChem (CID 62588191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).