2-N,2-N,2-trimethyl-1-N-thieno[2,3-d]pyrimidin-4-ylpropane-1,2-diamine

C12H18N4S — CID 31335404

IUPAC2-N,2-N,2-trimethyl-1-N-thieno[2,3-d]pyrimidin-4-ylpropane-1,2-diamine
SMILESCN(C)C(C)(C)CNc1ncnc2sccc12
InChIInChI=1S/C12H18N4S/c1-12(2,16(3)4)7-13-10-9-5-6-17-11(9)15-8-14-10/h5-6,8H,7H2,1-4H3,(H,13,14,15)
InChIKeyHHVVZLIGHQONOM-UHFFFAOYSA-N
MW250.37 g/mol
LogP2.44
Rot. Bonds4

About 2-N,2-N,2-trimethyl-1-N-thieno[2,3-d]pyrimidin-4-ylpropane-1,2-diamine

2-N,2-N,2-trimethyl-1-N-thieno[2,3-d]pyrimidin-4-ylpropane-1,2-diamine (PubChem CID 31335404) has the molecular formula C12H18N4S and a molecular weight of 250.37 g/mol. Its IUPAC name is 2-N,2-N,2-trimethyl-1-N-thieno[2,3-d]pyrimidin-4-ylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N,2-N,2-trimethyl-1-N-thieno[2,3-d]pyrimidin-4-ylpropane-1,2-diamine
PubChem CID31335404
Molecular FormulaC12H18N4S
Molecular Weight250.37 g/mol
Exact Mass250.13
IUPAC Name2-N,2-N,2-trimethyl-1-N-thieno[2,3-d]pyrimidin-4-ylpropane-1,2-diamine
SMILESCN(C)C(C)(C)CNc1ncnc2sccc12
InChIInChI=1S/C12H18N4S/c1-12(2,16(3)4)7-13-10-9-5-6-17-11(9)15-8-14-10/h5-6,8H,7H2,1-4H3,(H,13,14,15)
InChIKeyHHVVZLIGHQONOM-UHFFFAOYSA-N
XLogP2.44
TPSA41.05 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 ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N,2-N,2-trimethyl-1-N-thieno[2,3-d]pyrimidin-4-ylpropane-1,2-diamine?
The IUPAC name of 2-N,2-N,2-trimethyl-1-N-thieno[2,3-d]pyrimidin-4-ylpropane-1,2-diamine (CID 31335404) is 2-N,2-N,2-trimethyl-1-N-thieno[2,3-d]pyrimidin-4-ylpropane-1,2-diamine.
What is the SMILES notation for 2-N,2-N,2-trimethyl-1-N-thieno[2,3-d]pyrimidin-4-ylpropane-1,2-diamine?
The canonical SMILES for 2-N,2-N,2-trimethyl-1-N-thieno[2,3-d]pyrimidin-4-ylpropane-1,2-diamine is CN(C)C(C)(C)CNc1ncnc2sccc12.
What is the InChIKey of 2-N,2-N,2-trimethyl-1-N-thieno[2,3-d]pyrimidin-4-ylpropane-1,2-diamine?
The InChIKey is HHVVZLIGHQONOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4S/c1-12(2,16(3)4)7-13-10-9-5-6-17-11(9)15-8-14-10/h5-6,8H,7H2,1-4H3,(H,13,14,15).
What are the key properties of 2-N,2-N,2-trimethyl-1-N-thieno[2,3-d]pyrimidin-4-ylpropane-1,2-diamine?
2-N,2-N,2-trimethyl-1-N-thieno[2,3-d]pyrimidin-4-ylpropane-1,2-diamine has a molecular weight of 250.37 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N,2-trimethyl-1-N-thieno[2,3-d]pyrimidin-4-ylpropane-1,2-diamine is sourced from PubChem (CID 31335404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).