2-N,6-dimethyl-4-N-(pyridazin-3-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine

C13H14N6S — CID 106898231

IUPAC2-N,6-dimethyl-4-N-(pyridazin-3-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine
SMILESCNc1nc(NCc2cccnn2)c2cc(C)sc2n1
InChIInChI=1S/C13H14N6S/c1-8-6-10-11(15-7-9-4-3-5-16-19-9)17-13(14-2)18-12(10)20-8/h3-6H,7H2,1-2H3,(H2,14,15,17,18)
InChIKeyZKMZRSFDLRHDDZ-UHFFFAOYSA-N
MW286.36 g/mol
LogP2.44
Rot. Bonds4

About 2-N,6-dimethyl-4-N-(pyridazin-3-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine

2-N,6-dimethyl-4-N-(pyridazin-3-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine (PubChem CID 106898231) has the molecular formula C13H14N6S and a molecular weight of 286.36 g/mol. Its IUPAC name is 2-N,6-dimethyl-4-N-(pyridazin-3-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N,6-dimethyl-4-N-(pyridazin-3-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine
PubChem CID106898231
Molecular FormulaC13H14N6S
Molecular Weight286.36 g/mol
Exact Mass286.10
IUPAC Name2-N,6-dimethyl-4-N-(pyridazin-3-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine
SMILESCNc1nc(NCc2cccnn2)c2cc(C)sc2n1
InChIInChI=1S/C13H14N6S/c1-8-6-10-11(15-7-9-4-3-5-16-19-9)17-13(14-2)18-12(10)20-8/h3-6H,7H2,1-2H3,(H2,14,15,17,18)
InChIKeyZKMZRSFDLRHDDZ-UHFFFAOYSA-N
XLogP2.44
TPSA75.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-N,6-dimethyl-4-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324046
2-N,6-dimethyl-4-N-[(4-methylthiophen-3-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103329068
5-fluoro-2-N-methyl-4-N-(pyridazin-3-ylmethyl)pyrimidine-2,4-diamine
CID 106898146
2-N,6-dimethyl-4-N-(1,2,4-oxadiazol-3-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 106411875
4-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103328837
2-(methylamino)-4-(pyridazin-3-ylmethylamino)pyrimidine-5-carbonitrile
CID 175621024
2-chloro-6-methyl-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 82066295
5-[[6-methyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]pentan-1-ol
CID 107324255
4-N-(cyclopentylmethyl)-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324744
2-methyl-3-[[6-methyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]propane-1,2-diol
CID 103328768
2-benzyl-6-methyl-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 91964996
4-N-cyclopropyl-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324095

Frequently Asked Questions

What is the IUPAC name of 2-N,6-dimethyl-4-N-(pyridazin-3-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 2-N,6-dimethyl-4-N-(pyridazin-3-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine (CID 106898231) is 2-N,6-dimethyl-4-N-(pyridazin-3-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N,6-dimethyl-4-N-(pyridazin-3-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N,6-dimethyl-4-N-(pyridazin-3-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine is CNc1nc(NCc2cccnn2)c2cc(C)sc2n1.
What is the InChIKey of 2-N,6-dimethyl-4-N-(pyridazin-3-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is ZKMZRSFDLRHDDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N6S/c1-8-6-10-11(15-7-9-4-3-5-16-19-9)17-13(14-2)18-12(10)20-8/h3-6H,7H2,1-2H3,(H2,14,15,17,18).
What are the key properties of 2-N,6-dimethyl-4-N-(pyridazin-3-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine?
2-N,6-dimethyl-4-N-(pyridazin-3-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 286.36 g/mol, XLogP of 2.44, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,6-dimethyl-4-N-(pyridazin-3-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 106898231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).