N-cyclopropyl-N'-methyl-N'-thieno[2,3-d]pyrimidin-4-ylethane-1,2-diamine

C12H16N4S — CID 62587122

IUPACN-cyclopropyl-N'-methyl-N'-thieno[2,3-d]pyrimidin-4-ylethane-1,2-diamine
SMILESCN(CCNC1CC1)c1ncnc2sccc12
InChIInChI=1S/C12H16N4S/c1-16(6-5-13-9-2-3-9)11-10-4-7-17-12(10)15-8-14-11/h4,7-9,13H,2-3,5-6H2,1H3
InChIKeyXHMIJZPAZBIXOW-UHFFFAOYSA-N
MW248.35 g/mol
LogP1.88
Rot. Bonds5

About N-cyclopropyl-N'-methyl-N'-thieno[2,3-d]pyrimidin-4-ylethane-1,2-diamine

N-cyclopropyl-N'-methyl-N'-thieno[2,3-d]pyrimidin-4-ylethane-1,2-diamine (PubChem CID 62587122) has the molecular formula C12H16N4S and a molecular weight of 248.35 g/mol. Its IUPAC name is N-cyclopropyl-N'-methyl-N'-thieno[2,3-d]pyrimidin-4-ylethane-1,2-diamine.

Molecular Properties

Compound NameN-cyclopropyl-N'-methyl-N'-thieno[2,3-d]pyrimidin-4-ylethane-1,2-diamine
PubChem CID62587122
Molecular FormulaC12H16N4S
Molecular Weight248.35 g/mol
Exact Mass248.11
IUPAC NameN-cyclopropyl-N'-methyl-N'-thieno[2,3-d]pyrimidin-4-ylethane-1,2-diamine
SMILESCN(CCNC1CC1)c1ncnc2sccc12
InChIInChI=1S/C12H16N4S/c1-16(6-5-13-9-2-3-9)11-10-4-7-17-12(10)15-8-14-11/h4,7-9,13H,2-3,5-6H2,1H3
InChIKeyXHMIJZPAZBIXOW-UHFFFAOYSA-N
XLogP1.88
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N'-methyl-N'-thieno[2,3-d]pyrimidin-4-ylethane-1,2-diamine?
The IUPAC name of N-cyclopropyl-N'-methyl-N'-thieno[2,3-d]pyrimidin-4-ylethane-1,2-diamine (CID 62587122) is N-cyclopropyl-N'-methyl-N'-thieno[2,3-d]pyrimidin-4-ylethane-1,2-diamine.
What is the SMILES notation for N-cyclopropyl-N'-methyl-N'-thieno[2,3-d]pyrimidin-4-ylethane-1,2-diamine?
The canonical SMILES for N-cyclopropyl-N'-methyl-N'-thieno[2,3-d]pyrimidin-4-ylethane-1,2-diamine is CN(CCNC1CC1)c1ncnc2sccc12.
What is the InChIKey of N-cyclopropyl-N'-methyl-N'-thieno[2,3-d]pyrimidin-4-ylethane-1,2-diamine?
The InChIKey is XHMIJZPAZBIXOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4S/c1-16(6-5-13-9-2-3-9)11-10-4-7-17-12(10)15-8-14-11/h4,7-9,13H,2-3,5-6H2,1H3.
What are the key properties of N-cyclopropyl-N'-methyl-N'-thieno[2,3-d]pyrimidin-4-ylethane-1,2-diamine?
N-cyclopropyl-N'-methyl-N'-thieno[2,3-d]pyrimidin-4-ylethane-1,2-diamine has a molecular weight of 248.35 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N'-methyl-N'-thieno[2,3-d]pyrimidin-4-ylethane-1,2-diamine is sourced from PubChem (CID 62587122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).