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

C14H22N4S — CID 106918086

IUPACN-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-N,N',2-trimethylpropane-1,3-diamine
SMILESCCc1cc2c(N(C)CC(C)CNC)ncnc2s1
InChIInChI=1S/C14H22N4S/c1-5-11-6-12-13(16-9-17-14(12)19-11)18(4)8-10(2)7-15-3/h6,9-10,15H,5,7-8H2,1-4H3
InChIKeyRWMASQYLNNGGQR-UHFFFAOYSA-N
MW278.42 g/mol
LogP2.55
Rot. Bonds6

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

N-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-N,N',2-trimethylpropane-1,3-diamine (PubChem CID 106918086) has the molecular formula C14H22N4S and a molecular weight of 278.42 g/mol. Its IUPAC name is N-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-N,N',2-trimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-N,N',2-trimethylpropane-1,3-diamine
PubChem CID106918086
Molecular FormulaC14H22N4S
Molecular Weight278.42 g/mol
Exact Mass278.16
IUPAC NameN-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-N,N',2-trimethylpropane-1,3-diamine
SMILESCCc1cc2c(N(C)CC(C)CNC)ncnc2s1
InChIInChI=1S/C14H22N4S/c1-5-11-6-12-13(16-9-17-14(12)19-11)18(4)8-10(2)7-15-3/h6,9-10,15H,5,7-8H2,1-4H3
InChIKeyRWMASQYLNNGGQR-UHFFFAOYSA-N
XLogP2.55
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-N,N',2-trimethylpropane-1,3-diamine?
The IUPAC name of N-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-N,N',2-trimethylpropane-1,3-diamine (CID 106918086) is N-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-N,N',2-trimethylpropane-1,3-diamine.
What is the SMILES notation for N-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-N,N',2-trimethylpropane-1,3-diamine?
The canonical SMILES for N-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-N,N',2-trimethylpropane-1,3-diamine is CCc1cc2c(N(C)CC(C)CNC)ncnc2s1.
What is the InChIKey of N-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-N,N',2-trimethylpropane-1,3-diamine?
The InChIKey is RWMASQYLNNGGQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4S/c1-5-11-6-12-13(16-9-17-14(12)19-11)18(4)8-10(2)7-15-3/h6,9-10,15H,5,7-8H2,1-4H3.
What are the key properties of N-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-N,N',2-trimethylpropane-1,3-diamine?
N-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-N,N',2-trimethylpropane-1,3-diamine has a molecular weight of 278.42 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-N,N',2-trimethylpropane-1,3-diamine is sourced from PubChem (CID 106918086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).