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

C17H20N6S — CID 127311887

IUPACN-[1-(6-ethylpyrimidin-4-yl)piperidin-3-yl]thieno[3,2-d]pyrimidin-4-amine
SMILESCCc1cc(N2CCCC(Nc3ncnc4ccsc34)C2)ncn1
InChIInChI=1S/C17H20N6S/c1-2-12-8-15(20-10-18-12)23-6-3-4-13(9-23)22-17-16-14(5-7-24-16)19-11-21-17/h5,7-8,10-11,13H,2-4,6,9H2,1H3,(H,19,21,22)
InChIKeyNCJZLMNTRMGYIN-UHFFFAOYSA-N
MW340.46 g/mol
LogP3.12
Rot. Bonds4

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

N-[1-(6-ethylpyrimidin-4-yl)piperidin-3-yl]thieno[3,2-d]pyrimidin-4-amine (PubChem CID 127311887) has the molecular formula C17H20N6S and a molecular weight of 340.46 g/mol. Its IUPAC name is N-[1-(6-ethylpyrimidin-4-yl)piperidin-3-yl]thieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-(6-ethylpyrimidin-4-yl)piperidin-3-yl]thieno[3,2-d]pyrimidin-4-amine
PubChem CID127311887
Molecular FormulaC17H20N6S
Molecular Weight340.46 g/mol
Exact Mass340.15
IUPAC NameN-[1-(6-ethylpyrimidin-4-yl)piperidin-3-yl]thieno[3,2-d]pyrimidin-4-amine
SMILESCCc1cc(N2CCCC(Nc3ncnc4ccsc34)C2)ncn1
InChIInChI=1S/C17H20N6S/c1-2-12-8-15(20-10-18-12)23-6-3-4-13(9-23)22-17-16-14(5-7-24-16)19-11-21-17/h5,7-8,10-11,13H,2-4,6,9H2,1H3,(H,19,21,22)
InChIKeyNCJZLMNTRMGYIN-UHFFFAOYSA-N
XLogP3.12
TPSA66.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.46
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1-(6-ethylpyrimidin-4-yl)piperidin-3-yl]-5-methylquinazolin-4-amine
CID 127412171
1-(6-ethylpyrimidin-4-yl)-N-methylpiperidin-3-amine
CID 62545846
2-N-[1-(6-ethylpyrimidin-4-yl)piperidin-3-yl]-4-N,4-N-dimethylpyrimidine-2,4-diamine
CID 171995725
N-[1-(6-ethylpyrimidin-4-yl)piperidin-3-yl]-2-(methylamino)acetamide;hydrochloride
CID 120704514
N-(2,2-diethyloxan-4-yl)thieno[3,2-d]pyrimidin-4-amine
CID 82760786
1-(6-ethylpyrimidin-4-yl)-N-methylpiperidine-3-carboxamide
CID 166605798
3-[[[1-(6-ethylpyrimidin-4-yl)piperidin-3-yl]amino]methyl]benzoic acid
CID 122031077
N-(3,3-dimethylcyclopentyl)thieno[3,2-d]pyrimidin-4-amine
CID 115880973
2-[1-(6-ethylpyrimidin-4-yl)piperidin-3-yl]acetic acid
CID 62689410
N-(3,3,5,5-tetramethylcyclohexyl)thieno[3,2-d]pyrimidin-4-amine
CID 103967085
N-(3-methylsulfanylcyclopentyl)thieno[3,2-d]pyrimidin-4-amine
CID 113244147
4-ethyl-6-[(3R)-3-phenylmethoxypiperidin-1-yl]pyrimidine
CID 97200713

Frequently Asked Questions

What is the IUPAC name of N-[1-(6-ethylpyrimidin-4-yl)piperidin-3-yl]thieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of N-[1-(6-ethylpyrimidin-4-yl)piperidin-3-yl]thieno[3,2-d]pyrimidin-4-amine (CID 127311887) is N-[1-(6-ethylpyrimidin-4-yl)piperidin-3-yl]thieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for N-[1-(6-ethylpyrimidin-4-yl)piperidin-3-yl]thieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for N-[1-(6-ethylpyrimidin-4-yl)piperidin-3-yl]thieno[3,2-d]pyrimidin-4-amine is CCc1cc(N2CCCC(Nc3ncnc4ccsc34)C2)ncn1.
What is the InChIKey of N-[1-(6-ethylpyrimidin-4-yl)piperidin-3-yl]thieno[3,2-d]pyrimidin-4-amine?
The InChIKey is NCJZLMNTRMGYIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6S/c1-2-12-8-15(20-10-18-12)23-6-3-4-13(9-23)22-17-16-14(5-7-24-16)19-11-21-17/h5,7-8,10-11,13H,2-4,6,9H2,1H3,(H,19,21,22).
What are the key properties of N-[1-(6-ethylpyrimidin-4-yl)piperidin-3-yl]thieno[3,2-d]pyrimidin-4-amine?
N-[1-(6-ethylpyrimidin-4-yl)piperidin-3-yl]thieno[3,2-d]pyrimidin-4-amine has a molecular weight of 340.46 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6-ethylpyrimidin-4-yl)piperidin-3-yl]thieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 127311887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).