N-[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]thieno[3,2-d]pyrimidin-4-amine

C15H16N6S — CID 95599813

IUPACN-[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]thieno[3,2-d]pyrimidin-4-amine
SMILESc1cnnc(N2CCC[C@@H]2CNc2ncnc3ccsc23)c1
InChIInChI=1S/C15H16N6S/c1-4-13(20-19-6-1)21-7-2-3-11(21)9-16-15-14-12(5-8-22-14)17-10-18-15/h1,4-6,8,10-11H,2-3,7,9H2,(H,16,17,18)/t11-/m1/s1
InChIKeyDZZLFHDPIMCCDY-LLVKDONJSA-N
MW312.40 g/mol
LogP2.56
Rot. Bonds4

About N-[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]thieno[3,2-d]pyrimidin-4-amine

N-[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]thieno[3,2-d]pyrimidin-4-amine (PubChem CID 95599813) has the molecular formula C15H16N6S and a molecular weight of 312.40 g/mol. Its IUPAC name is N-[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]thieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]thieno[3,2-d]pyrimidin-4-amine
PubChem CID95599813
Molecular FormulaC15H16N6S
Molecular Weight312.40 g/mol
Exact Mass312.12
IUPAC NameN-[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]thieno[3,2-d]pyrimidin-4-amine
SMILESc1cnnc(N2CCC[C@@H]2CNc2ncnc3ccsc23)c1
InChIInChI=1S/C15H16N6S/c1-4-13(20-19-6-1)21-7-2-3-11(21)9-16-15-14-12(5-8-22-14)17-10-18-15/h1,4-6,8,10-11H,2-3,7,9H2,(H,16,17,18)/t11-/m1/s1
InChIKeyDZZLFHDPIMCCDY-LLVKDONJSA-N
XLogP2.56
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 ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]thieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of N-[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]thieno[3,2-d]pyrimidin-4-amine (CID 95599813) is N-[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]thieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for N-[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]thieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for N-[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]thieno[3,2-d]pyrimidin-4-amine is c1cnnc(N2CCC[C@@H]2CNc2ncnc3ccsc23)c1.
What is the InChIKey of N-[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]thieno[3,2-d]pyrimidin-4-amine?
The InChIKey is DZZLFHDPIMCCDY-LLVKDONJSA-N. The full InChI is InChI=1S/C15H16N6S/c1-4-13(20-19-6-1)21-7-2-3-11(21)9-16-15-14-12(5-8-22-14)17-10-18-15/h1,4-6,8,10-11H,2-3,7,9H2,(H,16,17,18)/t11-/m1/s1.
What are the key properties of N-[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]thieno[3,2-d]pyrimidin-4-amine?
N-[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]thieno[3,2-d]pyrimidin-4-amine has a molecular weight of 312.40 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]thieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 95599813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).