2-N-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-3-methylbutane-1,2-diamine

C13H20N4S — CID 65192081

IUPAC2-N-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-3-methylbutane-1,2-diamine
SMILESCCc1cc2c(NC(CN)C(C)C)ncnc2s1
InChIInChI=1S/C13H20N4S/c1-4-9-5-10-12(15-7-16-13(10)18-9)17-11(6-14)8(2)3/h5,7-8,11H,4,6,14H2,1-3H3,(H,15,16,17)
InChIKeyLBCBERQIHTWIQX-UHFFFAOYSA-N
MW264.40 g/mol
LogP2.65
Rot. Bonds5

About 2-N-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-3-methylbutane-1,2-diamine

2-N-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-3-methylbutane-1,2-diamine (PubChem CID 65192081) has the molecular formula C13H20N4S and a molecular weight of 264.40 g/mol. Its IUPAC name is 2-N-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-3-methylbutane-1,2-diamine.

Molecular Properties

Compound Name2-N-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-3-methylbutane-1,2-diamine
PubChem CID65192081
Molecular FormulaC13H20N4S
Molecular Weight264.40 g/mol
Exact Mass264.14
IUPAC Name2-N-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-3-methylbutane-1,2-diamine
SMILESCCc1cc2c(NC(CN)C(C)C)ncnc2s1
InChIInChI=1S/C13H20N4S/c1-4-9-5-10-12(15-7-16-13(10)18-9)17-11(6-14)8(2)3/h5,7-8,11H,4,6,14H2,1-3H3,(H,15,16,17)
InChIKeyLBCBERQIHTWIQX-UHFFFAOYSA-N
XLogP2.65
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.40
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-cyclopropyl-N-(6-ethylthieno[2,3-d]pyrimidin-4-yl)ethane-1,2-diamine
CID 65189090
methyl 2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]propanoate
CID 62005776
(2R,3R)-2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-3-methylpentanamide
CID 96996419
N-(1-chlorobutan-2-yl)-6-ethylthieno[2,3-d]pyrimidin-4-amine
CID 65027345
ethyl 3-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]butanoate
CID 133363399
2-N-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-2-N-methylpropane-1,2-diamine
CID 113426513
N-(3-chlorobutyl)-6-ethylthieno[2,3-d]pyrimidin-4-amine
CID 65028734
6-ethyl-N-[1-(4-methylmorpholin-2-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 133386426
N-[1-(aminomethyl)cyclopentyl]-6-ethylthieno[2,3-d]pyrimidin-4-amine
CID 63760165
2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-3-methoxypropanoic acid
CID 81078329
6-ethyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]thieno[2,3-d]pyrimidin-4-amine
CID 133355761
N-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]-6-ethylthieno[2,3-d]pyrimidin-4-amine
CID 133477608

Frequently Asked Questions

What is the IUPAC name of 2-N-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-3-methylbutane-1,2-diamine?
The IUPAC name of 2-N-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-3-methylbutane-1,2-diamine (CID 65192081) is 2-N-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-3-methylbutane-1,2-diamine.
What is the SMILES notation for 2-N-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-3-methylbutane-1,2-diamine?
The canonical SMILES for 2-N-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-3-methylbutane-1,2-diamine is CCc1cc2c(NC(CN)C(C)C)ncnc2s1.
What is the InChIKey of 2-N-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-3-methylbutane-1,2-diamine?
The InChIKey is LBCBERQIHTWIQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4S/c1-4-9-5-10-12(15-7-16-13(10)18-9)17-11(6-14)8(2)3/h5,7-8,11H,4,6,14H2,1-3H3,(H,15,16,17).
What are the key properties of 2-N-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-3-methylbutane-1,2-diamine?
2-N-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-3-methylbutane-1,2-diamine has a molecular weight of 264.40 g/mol, XLogP of 2.65, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-3-methylbutane-1,2-diamine is sourced from PubChem (CID 65192081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).