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

C12H18N4S — CID 113426513

IUPAC2-N-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-2-N-methylpropane-1,2-diamine
SMILESCCc1cc2c(N(C)C(C)CN)ncnc2s1
InChIInChI=1S/C12H18N4S/c1-4-9-5-10-11(16(3)8(2)6-13)14-7-15-12(10)17-9/h5,7-8H,4,6,13H2,1-3H3
InChIKeyPEUXJZGPNJFJMF-UHFFFAOYSA-N
MW250.37 g/mol
LogP2.04
Rot. Bonds4

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

2-N-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-2-N-methylpropane-1,2-diamine (PubChem CID 113426513) has the molecular formula C12H18N4S and a molecular weight of 250.37 g/mol. Its IUPAC name is 2-N-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-2-N-methylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-2-N-methylpropane-1,2-diamine
PubChem CID113426513
Molecular FormulaC12H18N4S
Molecular Weight250.37 g/mol
Exact Mass250.13
IUPAC Name2-N-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-2-N-methylpropane-1,2-diamine
SMILESCCc1cc2c(N(C)C(C)CN)ncnc2s1
InChIInChI=1S/C12H18N4S/c1-4-9-5-10-11(16(3)8(2)6-13)14-7-15-12(10)17-9/h5,7-8H,4,6,13H2,1-3H3
InChIKeyPEUXJZGPNJFJMF-UHFFFAOYSA-N
XLogP2.04
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-N-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-1-N-methylpropane-1,2-diamine
CID 63761357
N'-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-N'-methylpentane-1,5-diamine
CID 107206962
6-ethyl-N-methyl-N-(1-pyridin-3-ylethyl)thieno[2,3-d]pyrimidin-4-amine
CID 133277259
N-(2-chloroethyl)-6-ethyl-N-propan-2-ylthieno[2,3-d]pyrimidin-4-amine
CID 55184430
N-[4-(aminomethyl)phenyl]-6-ethyl-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 62972022
2-N-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-3-methylbutane-1,2-diamine
CID 65192081
N-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-N,N',2-trimethylpropane-1,3-diamine
CID 106918086
6-ethyl-N-methyl-N-[(1S)-1-(3-nitrophenyl)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 96996408
6-ethyl-N-(4-fluorophenyl)-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 46362735
N'-cyclopentyl-N'-(6-ethylthieno[2,3-d]pyrimidin-4-yl)ethane-1,2-diamine
CID 62588172
N-(2,2-difluoroethyl)-6-ethyl-N-propylthieno[2,3-d]pyrimidin-4-amine
CID 133279433
6-ethyl-2-hydrazinyl-N-methyl-N-(4-methylpentan-2-yl)thieno[2,3-d]pyrimidin-4-amine
CID 103333041

Frequently Asked Questions

What is the IUPAC name of 2-N-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-2-N-methylpropane-1,2-diamine?
The IUPAC name of 2-N-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-2-N-methylpropane-1,2-diamine (CID 113426513) is 2-N-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-2-N-methylpropane-1,2-diamine.
What is the SMILES notation for 2-N-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-2-N-methylpropane-1,2-diamine?
The canonical SMILES for 2-N-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-2-N-methylpropane-1,2-diamine is CCc1cc2c(N(C)C(C)CN)ncnc2s1.
What is the InChIKey of 2-N-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-2-N-methylpropane-1,2-diamine?
The InChIKey is PEUXJZGPNJFJMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4S/c1-4-9-5-10-11(16(3)8(2)6-13)14-7-15-12(10)17-9/h5,7-8H,4,6,13H2,1-3H3.
What are the key properties of 2-N-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-2-N-methylpropane-1,2-diamine?
2-N-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-2-N-methylpropane-1,2-diamine has a molecular weight of 250.37 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 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)-2-N-methylpropane-1,2-diamine is sourced from PubChem (CID 113426513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).