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

C17H20N6S — CID 133336179

IUPACN-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]thieno[2,3-d]pyrimidin-4-amine
SMILESCc1cc(N2CCC(Nc3ncnc4sccc34)CC2)nc(C)n1
InChIInChI=1S/C17H20N6S/c1-11-9-15(21-12(2)20-11)23-6-3-13(4-7-23)22-16-14-5-8-24-17(14)19-10-18-16/h5,8-10,13H,3-4,6-7H2,1-2H3,(H,18,19,22)
InChIKeyFJNXGSXIWWVRGV-UHFFFAOYSA-N
MW340.46 g/mol
LogP3.18
Rot. Bonds3

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

N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 133336179) has the molecular formula C17H20N6S and a molecular weight of 340.46 g/mol. Its IUPAC name is N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID133336179
Molecular FormulaC17H20N6S
Molecular Weight340.46 g/mol
Exact Mass340.15
IUPAC NameN-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]thieno[2,3-d]pyrimidin-4-amine
SMILESCc1cc(N2CCC(Nc3ncnc4sccc34)CC2)nc(C)n1
InChIInChI=1S/C17H20N6S/c1-11-9-15(21-12(2)20-11)23-6-3-13(4-7-23)22-16-14-5-8-24-17(14)19-10-18-16/h5,8-10,13H,3-4,6-7H2,1-2H3,(H,18,19,22)
InChIKeyFJNXGSXIWWVRGV-UHFFFAOYSA-N
XLogP3.18
TPSA66.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.46
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-cyclobutylthieno[2,3-d]pyrimidin-4-amine
CID 13038304
N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-6-methylpyrimidin-4-amine
CID 133336237
3-chloro-N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]pyridin-2-amine
CID 122141204
N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-2-methylpyrimidin-4-amine
CID 136512883
N-(1-oxothian-4-yl)thieno[2,3-d]pyrimidin-4-amine
CID 104576554
4-methyl-N-(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-yl)-1,3-thiazol-2-amine
CID 127896861
N-(1-benzylpiperidin-4-yl)thieno[2,3-d]pyrimidin-4-amine;ethane
CID 90925941
1-(2,6-dimethylpyrimidin-4-yl)-N-(2-fluorophenyl)piperidin-4-amine
CID 133330878
2-[[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]amino]pyridine-3-carbonitrile
CID 133336053
3-chloro-N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-5-(trifluoromethyl)pyridin-2-amine
CID 133336273
N-cyclohexyl-2-methylthieno[2,3-d]pyrimidin-4-amine
CID 2239015
N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-2-methylquinolin-4-amine
CID 133336114

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]thieno[2,3-d]pyrimidin-4-amine (CID 133336179) is N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]thieno[2,3-d]pyrimidin-4-amine is Cc1cc(N2CCC(Nc3ncnc4sccc34)CC2)nc(C)n1.
What is the InChIKey of N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is FJNXGSXIWWVRGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6S/c1-11-9-15(21-12(2)20-11)23-6-3-13(4-7-23)22-16-14-5-8-24-17(14)19-10-18-16/h5,8-10,13H,3-4,6-7H2,1-2H3,(H,18,19,22).
What are the key properties of N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]thieno[2,3-d]pyrimidin-4-amine?
N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 340.46 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 133336179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).