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

C12H18N4S — CID 43236110

IUPACN',N'-diethyl-N-thieno[3,2-d]pyrimidin-4-ylethane-1,2-diamine
SMILESCCN(CC)CCNc1ncnc2ccsc12
InChIInChI=1S/C12H18N4S/c1-3-16(4-2)7-6-13-12-11-10(5-8-17-11)14-9-15-12/h5,8-9H,3-4,6-7H2,1-2H3,(H,13,14,15)
InChIKeyLPVQXMOLXTZGRV-UHFFFAOYSA-N
MW250.37 g/mol
LogP2.44
Rot. Bonds6

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

N',N'-diethyl-N-thieno[3,2-d]pyrimidin-4-ylethane-1,2-diamine (PubChem CID 43236110) has the molecular formula C12H18N4S and a molecular weight of 250.37 g/mol. Its IUPAC name is N',N'-diethyl-N-thieno[3,2-d]pyrimidin-4-ylethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-diethyl-N-thieno[3,2-d]pyrimidin-4-ylethane-1,2-diamine
PubChem CID43236110
Molecular FormulaC12H18N4S
Molecular Weight250.37 g/mol
Exact Mass250.13
IUPAC NameN',N'-diethyl-N-thieno[3,2-d]pyrimidin-4-ylethane-1,2-diamine
SMILESCCN(CC)CCNc1ncnc2ccsc12
InChIInChI=1S/C12H18N4S/c1-3-16(4-2)7-6-13-12-11-10(5-8-17-11)14-9-15-12/h5,8-9H,3-4,6-7H2,1-2H3,(H,13,14,15)
InChIKeyLPVQXMOLXTZGRV-UHFFFAOYSA-N
XLogP2.44
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
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 N',N'-diethyl-N-thieno[3,2-d]pyrimidin-4-ylethane-1,2-diamine?
The IUPAC name of N',N'-diethyl-N-thieno[3,2-d]pyrimidin-4-ylethane-1,2-diamine (CID 43236110) is N',N'-diethyl-N-thieno[3,2-d]pyrimidin-4-ylethane-1,2-diamine.
What is the SMILES notation for N',N'-diethyl-N-thieno[3,2-d]pyrimidin-4-ylethane-1,2-diamine?
The canonical SMILES for N',N'-diethyl-N-thieno[3,2-d]pyrimidin-4-ylethane-1,2-diamine is CCN(CC)CCNc1ncnc2ccsc12.
What is the InChIKey of N',N'-diethyl-N-thieno[3,2-d]pyrimidin-4-ylethane-1,2-diamine?
The InChIKey is LPVQXMOLXTZGRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4S/c1-3-16(4-2)7-6-13-12-11-10(5-8-17-11)14-9-15-12/h5,8-9H,3-4,6-7H2,1-2H3,(H,13,14,15).
What are the key properties of N',N'-diethyl-N-thieno[3,2-d]pyrimidin-4-ylethane-1,2-diamine?
N',N'-diethyl-N-thieno[3,2-d]pyrimidin-4-ylethane-1,2-diamine has a molecular weight of 250.37 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diethyl-N-thieno[3,2-d]pyrimidin-4-ylethane-1,2-diamine is sourced from PubChem (CID 43236110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).