6-chloro-N-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-5,6-dihydrothieno[2,3-d]pyrimidin-4-amine

C18H20Cl2N4S — CID 153221115

IUPAC6-chloro-N-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-5,6-dihydrothieno[2,3-d]pyrimidin-4-amine
SMILESClc1cccc(CN2CCC(Nc3ncnc4c3CC(Cl)S4)CC2)c1
InChIInChI=1S/C18H20Cl2N4S/c19-13-3-1-2-12(8-13)10-24-6-4-14(5-7-24)23-17-15-9-16(20)25-18(15)22-11-21-17/h1-3,8,11,14,16H,4-7,9-10H2,(H,21,22,23)
InChIKeyWNRIBNLPYTZDTG-UHFFFAOYSA-N
MW395.36 g/mol
LogP4.42
Rot. Bonds4

About 6-chloro-N-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-5,6-dihydrothieno[2,3-d]pyrimidin-4-amine

6-chloro-N-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-5,6-dihydrothieno[2,3-d]pyrimidin-4-amine (PubChem CID 153221115) has the molecular formula C18H20Cl2N4S and a molecular weight of 395.36 g/mol. Its IUPAC name is 6-chloro-N-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-5,6-dihydrothieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-5,6-dihydrothieno[2,3-d]pyrimidin-4-amine
PubChem CID153221115
Molecular FormulaC18H20Cl2N4S
Molecular Weight395.36 g/mol
Exact Mass394.08
IUPAC Name6-chloro-N-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-5,6-dihydrothieno[2,3-d]pyrimidin-4-amine
SMILESClc1cccc(CN2CCC(Nc3ncnc4c3CC(Cl)S4)CC2)c1
InChIInChI=1S/C18H20Cl2N4S/c19-13-3-1-2-12(8-13)10-24-6-4-14(5-7-24)23-17-15-9-16(20)25-18(15)22-11-21-17/h1-3,8,11,14,16H,4-7,9-10H2,(H,21,22,23)
InChIKeyWNRIBNLPYTZDTG-UHFFFAOYSA-N
XLogP4.42
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.36
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[(3-chlorophenyl)methyl]-N-propylpiperidin-4-amine
CID 62538948
4-N-(1-benzylpiperidin-4-yl)-2-N-(3-chlorophenyl)-2-N-methyl-1,3,5-triazine-2,4-diamine
CID 23536242
1-[(3-chlorophenyl)methyl]piperidin-4-amine
CID 12641838
N-(1-benzylpiperidin-4-yl)-6-methylthieno[2,3-d]pyrimidin-4-amine;ethane
CID 91532309
4-(chloromethyl)-1-[(3-chlorophenyl)methyl]piperidine
CID 63387553
N-(1-benzylpiperidin-4-yl)thieno[2,3-d]pyrimidin-4-amine;ethane
CID 90925941
N-(1-benzylpiperidin-4-yl)-6-methylquinazolin-4-amine
CID 162366578
[1-[(3-chlorophenyl)methyl]piperidin-4-yl]methanol
CID 47035134
2-[[1-[(3,5-dichlorophenyl)methyl]piperidin-4-yl]amino]pyridine-3-sulfonamide
CID 133453551
1-[(3-chlorophenyl)methyl]pyrrolidine
CID 12738005
N-(1-benzylpiperidin-4-yl)-6,7-dimethoxyquinazolin-4-amine
CID 2808856
N-(1-benzylpiperidin-4-yl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 985393

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-5,6-dihydrothieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 6-chloro-N-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-5,6-dihydrothieno[2,3-d]pyrimidin-4-amine (CID 153221115) is 6-chloro-N-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-5,6-dihydrothieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-5,6-dihydrothieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-5,6-dihydrothieno[2,3-d]pyrimidin-4-amine is Clc1cccc(CN2CCC(Nc3ncnc4c3CC(Cl)S4)CC2)c1.
What is the InChIKey of 6-chloro-N-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-5,6-dihydrothieno[2,3-d]pyrimidin-4-amine?
The InChIKey is WNRIBNLPYTZDTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Cl2N4S/c19-13-3-1-2-12(8-13)10-24-6-4-14(5-7-24)23-17-15-9-16(20)25-18(15)22-11-21-17/h1-3,8,11,14,16H,4-7,9-10H2,(H,21,22,23).
What are the key properties of 6-chloro-N-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-5,6-dihydrothieno[2,3-d]pyrimidin-4-amine?
6-chloro-N-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-5,6-dihydrothieno[2,3-d]pyrimidin-4-amine has a molecular weight of 395.36 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-5,6-dihydrothieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 153221115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).