N-[[1-(6-methylpyridazin-3-yl)azetidin-3-yl]methyl]thieno[2,3-d]pyrimidin-4-amine

C15H16N6S — CID 126916741

IUPACN-[[1-(6-methylpyridazin-3-yl)azetidin-3-yl]methyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCc1ccc(N2CC(CNc3ncnc4sccc34)C2)nn1
InChIInChI=1S/C15H16N6S/c1-10-2-3-13(20-19-10)21-7-11(8-21)6-16-14-12-4-5-22-15(12)18-9-17-14/h2-5,9,11H,6-8H2,1H3,(H,16,17,18)
InChIKeyJUPFRCXRFUSICK-UHFFFAOYSA-N
MW312.40 g/mol
LogP2.34
Rot. Bonds4

About N-[[1-(6-methylpyridazin-3-yl)azetidin-3-yl]methyl]thieno[2,3-d]pyrimidin-4-amine

N-[[1-(6-methylpyridazin-3-yl)azetidin-3-yl]methyl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 126916741) has the molecular formula C15H16N6S and a molecular weight of 312.40 g/mol. Its IUPAC name is N-[[1-(6-methylpyridazin-3-yl)azetidin-3-yl]methyl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[[1-(6-methylpyridazin-3-yl)azetidin-3-yl]methyl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID126916741
Molecular FormulaC15H16N6S
Molecular Weight312.40 g/mol
Exact Mass312.12
IUPAC NameN-[[1-(6-methylpyridazin-3-yl)azetidin-3-yl]methyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCc1ccc(N2CC(CNc3ncnc4sccc34)C2)nn1
InChIInChI=1S/C15H16N6S/c1-10-2-3-13(20-19-10)21-7-11(8-21)6-16-14-12-4-5-22-15(12)18-9-17-14/h2-5,9,11H,6-8H2,1H3,(H,16,17,18)
InChIKeyJUPFRCXRFUSICK-UHFFFAOYSA-N
XLogP2.34
TPSA66.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.40
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[[1-(6-methylpyridazin-3-yl)azetidin-3-yl]methyl]thieno[2,3-d]pyrimidin-4-amine with MolForge

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Related Compounds

N-(cyclopropylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 43112087
N-[(3-methylcyclopentyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 107413822
N-[(2,2,3,3-tetramethylcyclopropyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 79358667
5-(methoxymethyl)-N-[[1-(6-methylpyridazin-3-yl)azetidin-3-yl]methyl]-1,3,4-thiadiazol-2-amine
CID 126916841
2-methyl-N-[[1-(6-methylpyridazin-3-yl)azetidin-3-yl]methyl]pyrazolo[1,5-a]pyrazin-4-amine
CID 126916736
N-[[1-(6-methylpyridazin-3-yl)azetidin-3-yl]methyl]cyclobutanamine
CID 126916780
cis-(1R,2S)-2-[(thieno[2,3-d]pyrimidin-4-ylamino)methyl]cyclohexan-1-ol
CID 124506194
N-methyl-N-[(3R)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]thieno[2,3-d]pyrimidin-4-amine
CID 95329823
N-[(2-chlorocyclohexyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 65029513
N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]pyrido[2,3-d]pyrimidin-4-amine
CID 126918000
3-methyl-N-[[1-(6-methylpyridazin-3-yl)azetidin-3-yl]methyl]-1,2,4-oxadiazol-5-amine
CID 126916846
N-(2,2-dimethylpropyl)thieno[2,3-d]pyrimidin-4-amine
CID 13038283

Frequently Asked Questions

What is the IUPAC name of N-[[1-(6-methylpyridazin-3-yl)azetidin-3-yl]methyl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[[1-(6-methylpyridazin-3-yl)azetidin-3-yl]methyl]thieno[2,3-d]pyrimidin-4-amine (CID 126916741) is N-[[1-(6-methylpyridazin-3-yl)azetidin-3-yl]methyl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[[1-(6-methylpyridazin-3-yl)azetidin-3-yl]methyl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[[1-(6-methylpyridazin-3-yl)azetidin-3-yl]methyl]thieno[2,3-d]pyrimidin-4-amine is Cc1ccc(N2CC(CNc3ncnc4sccc34)C2)nn1.
What is the InChIKey of N-[[1-(6-methylpyridazin-3-yl)azetidin-3-yl]methyl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is JUPFRCXRFUSICK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6S/c1-10-2-3-13(20-19-10)21-7-11(8-21)6-16-14-12-4-5-22-15(12)18-9-17-14/h2-5,9,11H,6-8H2,1H3,(H,16,17,18).
What are the key properties of N-[[1-(6-methylpyridazin-3-yl)azetidin-3-yl]methyl]thieno[2,3-d]pyrimidin-4-amine?
N-[[1-(6-methylpyridazin-3-yl)azetidin-3-yl]methyl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 312.40 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(6-methylpyridazin-3-yl)azetidin-3-yl]methyl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 126916741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).