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

C12H18N4S — CID 79653232

IUPACN',2,2-trimethyl-N'-thieno[2,3-d]pyrimidin-4-ylpropane-1,3-diamine
SMILESCN(CC(C)(C)CN)c1ncnc2sccc12
InChIInChI=1S/C12H18N4S/c1-12(2,6-13)7-16(3)10-9-4-5-17-11(9)15-8-14-10/h4-5,8H,6-7,13H2,1-3H3
InChIKeyAQBJZZHUHRRJGS-UHFFFAOYSA-N
MW250.37 g/mol
LogP2.11
Rot. Bonds4

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

N',2,2-trimethyl-N'-thieno[2,3-d]pyrimidin-4-ylpropane-1,3-diamine (PubChem CID 79653232) has the molecular formula C12H18N4S and a molecular weight of 250.37 g/mol. Its IUPAC name is N',2,2-trimethyl-N'-thieno[2,3-d]pyrimidin-4-ylpropane-1,3-diamine.

Molecular Properties

Compound NameN',2,2-trimethyl-N'-thieno[2,3-d]pyrimidin-4-ylpropane-1,3-diamine
PubChem CID79653232
Molecular FormulaC12H18N4S
Molecular Weight250.37 g/mol
Exact Mass250.13
IUPAC NameN',2,2-trimethyl-N'-thieno[2,3-d]pyrimidin-4-ylpropane-1,3-diamine
SMILESCN(CC(C)(C)CN)c1ncnc2sccc12
InChIInChI=1S/C12H18N4S/c1-12(2,6-13)7-16(3)10-9-4-5-17-11(9)15-8-14-10/h4-5,8H,6-7,13H2,1-3H3
InChIKeyAQBJZZHUHRRJGS-UHFFFAOYSA-N
XLogP2.11
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 ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N',2,2-trimethyl-N'-thieno[2,3-d]pyrimidin-4-ylpropane-1,3-diamine?
The IUPAC name of N',2,2-trimethyl-N'-thieno[2,3-d]pyrimidin-4-ylpropane-1,3-diamine (CID 79653232) is N',2,2-trimethyl-N'-thieno[2,3-d]pyrimidin-4-ylpropane-1,3-diamine.
What is the SMILES notation for N',2,2-trimethyl-N'-thieno[2,3-d]pyrimidin-4-ylpropane-1,3-diamine?
The canonical SMILES for N',2,2-trimethyl-N'-thieno[2,3-d]pyrimidin-4-ylpropane-1,3-diamine is CN(CC(C)(C)CN)c1ncnc2sccc12.
What is the InChIKey of N',2,2-trimethyl-N'-thieno[2,3-d]pyrimidin-4-ylpropane-1,3-diamine?
The InChIKey is AQBJZZHUHRRJGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4S/c1-12(2,6-13)7-16(3)10-9-4-5-17-11(9)15-8-14-10/h4-5,8H,6-7,13H2,1-3H3.
What are the key properties of N',2,2-trimethyl-N'-thieno[2,3-d]pyrimidin-4-ylpropane-1,3-diamine?
N',2,2-trimethyl-N'-thieno[2,3-d]pyrimidin-4-ylpropane-1,3-diamine has a molecular weight of 250.37 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N',2,2-trimethyl-N'-thieno[2,3-d]pyrimidin-4-ylpropane-1,3-diamine is sourced from PubChem (CID 79653232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).