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

C12H18N4S — CID 63761357

IUPAC1-N-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-1-N-methylpropane-1,2-diamine
SMILESCCc1cc2c(N(C)CC(C)N)ncnc2s1
InChIInChI=1S/C12H18N4S/c1-4-9-5-10-11(16(3)6-8(2)13)14-7-15-12(10)17-9/h5,7-8H,4,6,13H2,1-3H3
InChIKeyDHVBYCKDNINUGR-UHFFFAOYSA-N
MW250.37 g/mol
LogP2.04
Rot. Bonds4

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

1-N-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-1-N-methylpropane-1,2-diamine (PubChem CID 63761357) has the molecular formula C12H18N4S and a molecular weight of 250.37 g/mol. Its IUPAC name is 1-N-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-1-N-methylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-1-N-methylpropane-1,2-diamine
PubChem CID63761357
Molecular FormulaC12H18N4S
Molecular Weight250.37 g/mol
Exact Mass250.13
IUPAC Name1-N-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-1-N-methylpropane-1,2-diamine
SMILESCCc1cc2c(N(C)CC(C)N)ncnc2s1
InChIInChI=1S/C12H18N4S/c1-4-9-5-10-11(16(3)6-8(2)13)14-7-15-12(10)17-9/h5,7-8H,4,6,13H2,1-3H3
InChIKeyDHVBYCKDNINUGR-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-N-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-1-N-methylpropane-1,2-diamine?
The IUPAC name of 1-N-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-1-N-methylpropane-1,2-diamine (CID 63761357) is 1-N-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-1-N-methylpropane-1,2-diamine.
What is the SMILES notation for 1-N-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-1-N-methylpropane-1,2-diamine?
The canonical SMILES for 1-N-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-1-N-methylpropane-1,2-diamine is CCc1cc2c(N(C)CC(C)N)ncnc2s1.
What is the InChIKey of 1-N-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-1-N-methylpropane-1,2-diamine?
The InChIKey is DHVBYCKDNINUGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4S/c1-4-9-5-10-11(16(3)6-8(2)13)14-7-15-12(10)17-9/h5,7-8H,4,6,13H2,1-3H3.
What are the key properties of 1-N-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-1-N-methylpropane-1,2-diamine?
1-N-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-1-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 1-N-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-1-N-methylpropane-1,2-diamine is sourced from PubChem (CID 63761357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).