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

C17H20N6S — CID 95329823

IUPACN-methyl-N-[(3R)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]thieno[2,3-d]pyrimidin-4-amine
SMILESCc1ccc(N2CCC[C@@H](N(C)c3ncnc4sccc34)C2)nn1
InChIInChI=1S/C17H20N6S/c1-12-5-6-15(21-20-12)23-8-3-4-13(10-23)22(2)16-14-7-9-24-17(14)19-11-18-16/h5-7,9,11,13H,3-4,8,10H2,1-2H3/t13-/m1/s1
InChIKeyOFJZAIQBOWAJDR-CYBMUJFWSA-N
MW340.46 g/mol
LogP2.89
Rot. Bonds3

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

N-methyl-N-[(3R)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 95329823) has the molecular formula C17H20N6S and a molecular weight of 340.46 g/mol. Its IUPAC name is N-methyl-N-[(3R)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-N-[(3R)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID95329823
Molecular FormulaC17H20N6S
Molecular Weight340.46 g/mol
Exact Mass340.15
IUPAC NameN-methyl-N-[(3R)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]thieno[2,3-d]pyrimidin-4-amine
SMILESCc1ccc(N2CCC[C@@H](N(C)c3ncnc4sccc34)C2)nn1
InChIInChI=1S/C17H20N6S/c1-12-5-6-15(21-20-12)23-8-3-4-13(10-23)22(2)16-14-7-9-24-17(14)19-11-18-16/h5-7,9,11,13H,3-4,8,10H2,1-2H3/t13-/m1/s1
InChIKeyOFJZAIQBOWAJDR-CYBMUJFWSA-N
XLogP2.89
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.46
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(3R)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-methyl-N-[(3R)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]thieno[2,3-d]pyrimidin-4-amine (CID 95329823) is N-methyl-N-[(3R)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-methyl-N-[(3R)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-methyl-N-[(3R)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]thieno[2,3-d]pyrimidin-4-amine is Cc1ccc(N2CCC[C@@H](N(C)c3ncnc4sccc34)C2)nn1.
What is the InChIKey of N-methyl-N-[(3R)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is OFJZAIQBOWAJDR-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H20N6S/c1-12-5-6-15(21-20-12)23-8-3-4-13(10-23)22(2)16-14-7-9-24-17(14)19-11-18-16/h5-7,9,11,13H,3-4,8,10H2,1-2H3/t13-/m1/s1.
What are the key properties of N-methyl-N-[(3R)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]thieno[2,3-d]pyrimidin-4-amine?
N-methyl-N-[(3R)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 340.46 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(3R)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 95329823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).