N-[3-(3-chlorophenyl)propyl]-1-(7-methylsulfanylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-amine

C21H25ClN4S2 — CID 175315760

IUPACN-[3-(3-chlorophenyl)propyl]-1-(7-methylsulfanylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-amine
SMILESCSc1csc2c(N3CCC(NCCCc4cccc(Cl)c4)CC3)ncnc12
InChIInChI=1S/C21H25ClN4S2/c1-27-18-13-28-20-19(18)24-14-25-21(20)26-10-7-17(8-11-26)23-9-3-5-15-4-2-6-16(22)12-15/h2,4,6,12-14,17,23H,3,5,7-11H2,1H3
InChIKeyQPETVIMTSFTLJZ-UHFFFAOYSA-N
MW433.05 g/mol
LogP5.26
Rot. Bonds7

About N-[3-(3-chlorophenyl)propyl]-1-(7-methylsulfanylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-amine

N-[3-(3-chlorophenyl)propyl]-1-(7-methylsulfanylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-amine (PubChem CID 175315760) has the molecular formula C21H25ClN4S2 and a molecular weight of 433.05 g/mol. Its IUPAC name is N-[3-(3-chlorophenyl)propyl]-1-(7-methylsulfanylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-amine.

Molecular Properties

Compound NameN-[3-(3-chlorophenyl)propyl]-1-(7-methylsulfanylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-amine
PubChem CID175315760
Molecular FormulaC21H25ClN4S2
Molecular Weight433.05 g/mol
Exact Mass432.12
IUPAC NameN-[3-(3-chlorophenyl)propyl]-1-(7-methylsulfanylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-amine
SMILESCSc1csc2c(N3CCC(NCCCc4cccc(Cl)c4)CC3)ncnc12
InChIInChI=1S/C21H25ClN4S2/c1-27-18-13-28-20-19(18)24-14-25-21(20)26-10-7-17(8-11-26)23-9-3-5-15-4-2-6-16(22)12-15/h2,4,6,12-14,17,23H,3,5,7-11H2,1H3
InChIKeyQPETVIMTSFTLJZ-UHFFFAOYSA-N
XLogP5.26
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.05
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(3-chlorophenyl)propyl]-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-amine
CID 156555049
4-[3-[[1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]amino]propyl]benzonitrile
CID 156539085
N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-amine
CID 72931211
1-(7-methylthieno[3,2-d]pyrimidin-4-yl)-N-[(E)-3-phenylprop-2-enyl]piperidin-4-amine
CID 156539132
N-(3-methylsulfanylpropyl)-1-pyridin-2-ylpiperidin-4-amine
CID 43675357
N-[1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]benzamide
CID 172898892
1-[(3-chlorophenyl)methyl]-N-propylpiperidin-4-amine
CID 62538948
N-[3-(3-methylphenyl)propyl]cyclobutanamine
CID 22492849
3-(2-methylphenyl)-N-[1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]propanamide
CID 156555013
N-[3-[(3-chlorophenyl)methoxy]propyl]cyclopentanamine
CID 65125325
3-(4-fluorophenyl)-N-[1-(7-phenylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]propanamide
CID 156539252
N-[(3-chlorophenyl)methyl]-1-methylazepan-4-amine
CID 65070501

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-chlorophenyl)propyl]-1-(7-methylsulfanylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-amine?
The IUPAC name of N-[3-(3-chlorophenyl)propyl]-1-(7-methylsulfanylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-amine (CID 175315760) is N-[3-(3-chlorophenyl)propyl]-1-(7-methylsulfanylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-amine.
What is the SMILES notation for N-[3-(3-chlorophenyl)propyl]-1-(7-methylsulfanylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-amine?
The canonical SMILES for N-[3-(3-chlorophenyl)propyl]-1-(7-methylsulfanylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-amine is CSc1csc2c(N3CCC(NCCCc4cccc(Cl)c4)CC3)ncnc12.
What is the InChIKey of N-[3-(3-chlorophenyl)propyl]-1-(7-methylsulfanylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-amine?
The InChIKey is QPETVIMTSFTLJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN4S2/c1-27-18-13-28-20-19(18)24-14-25-21(20)26-10-7-17(8-11-26)23-9-3-5-15-4-2-6-16(22)12-15/h2,4,6,12-14,17,23H,3,5,7-11H2,1H3.
What are the key properties of N-[3-(3-chlorophenyl)propyl]-1-(7-methylsulfanylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-amine?
N-[3-(3-chlorophenyl)propyl]-1-(7-methylsulfanylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-amine has a molecular weight of 433.05 g/mol, XLogP of 5.26, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-chlorophenyl)propyl]-1-(7-methylsulfanylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-amine is sourced from PubChem (CID 175315760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).