N-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N',2-dimethylpropane-1,3-diamine

C13H20N4S — CID 113282648

IUPACN-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N',2-dimethylpropane-1,3-diamine
SMILESCNCC(C)CNc1ncnc2sc(C)c(C)c12
InChIInChI=1S/C13H20N4S/c1-8(5-14-4)6-15-12-11-9(2)10(3)18-13(11)17-7-16-12/h7-8,14H,5-6H2,1-4H3,(H,15,16,17)
InChIKeyNECPQAREBANVIY-UHFFFAOYSA-N
MW264.40 g/mol
LogP2.58
Rot. Bonds5

About N-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N',2-dimethylpropane-1,3-diamine

N-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N',2-dimethylpropane-1,3-diamine (PubChem CID 113282648) has the molecular formula C13H20N4S and a molecular weight of 264.40 g/mol. Its IUPAC name is N-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N',2-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N',2-dimethylpropane-1,3-diamine
PubChem CID113282648
Molecular FormulaC13H20N4S
Molecular Weight264.40 g/mol
Exact Mass264.14
IUPAC NameN-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N',2-dimethylpropane-1,3-diamine
SMILESCNCC(C)CNc1ncnc2sc(C)c(C)c12
InChIInChI=1S/C13H20N4S/c1-8(5-14-4)6-15-12-11-9(2)10(3)18-13(11)17-7-16-12/h7-8,14H,5-6H2,1-4H3,(H,15,16,17)
InChIKeyNECPQAREBANVIY-UHFFFAOYSA-N
XLogP2.58
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.40
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chloro-2-methylpropyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 65037549
(2R)-1-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]propan-2-ol
CID 7999819
1-N-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-4,4-dimethylpentane-1,2-diamine
CID 107159127
1-[2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]ethylamino]propan-2-ol
CID 104594374
N-[(2S)-2-(4-ethylpiperazin-1-yl)propyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 52677943
N-but-2-ynyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 115865541
N-(cyclopropylmethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 43112058
(1R)-N'-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-1-(4-fluorophenyl)-N,N-dimethylethane-1,2-diamine
CID 52680009
(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)hydrazine
CID 719979
4-[(3-hydroxy-2-methylpropyl)amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid
CID 65035176
3-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-N-propan-2-ylpropanamide
CID 115578504
5,6-dimethyl-N-(3-methylpentan-3-yl)thieno[2,3-d]pyrimidin-4-amine
CID 114174333

Frequently Asked Questions

What is the IUPAC name of N-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N',2-dimethylpropane-1,3-diamine?
The IUPAC name of N-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N',2-dimethylpropane-1,3-diamine (CID 113282648) is N-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N',2-dimethylpropane-1,3-diamine.
What is the SMILES notation for N-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N',2-dimethylpropane-1,3-diamine?
The canonical SMILES for N-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N',2-dimethylpropane-1,3-diamine is CNCC(C)CNc1ncnc2sc(C)c(C)c12.
What is the InChIKey of N-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N',2-dimethylpropane-1,3-diamine?
The InChIKey is NECPQAREBANVIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4S/c1-8(5-14-4)6-15-12-11-9(2)10(3)18-13(11)17-7-16-12/h7-8,14H,5-6H2,1-4H3,(H,15,16,17).
What are the key properties of N-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N',2-dimethylpropane-1,3-diamine?
N-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N',2-dimethylpropane-1,3-diamine has a molecular weight of 264.40 g/mol, XLogP of 2.58, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N',2-dimethylpropane-1,3-diamine is sourced from PubChem (CID 113282648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).