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

C21H25ClN4S — CID 156555049

IUPACN-[3-(3-chlorophenyl)propyl]-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-amine
SMILESCc1csc2c(N3CCC(NCCCc4cccc(Cl)c4)CC3)ncnc12
InChIInChI=1S/C21H25ClN4S/c1-15-13-27-20-19(15)24-14-25-21(20)26-10-7-18(8-11-26)23-9-3-5-16-4-2-6-17(22)12-16/h2,4,6,12-14,18,23H,3,5,7-11H2,1H3
InChIKeyBNXJYVUZXIEHHH-UHFFFAOYSA-N
MW400.98 g/mol
LogP4.84
Rot. Bonds6

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

N-[3-(3-chlorophenyl)propyl]-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-amine (PubChem CID 156555049) has the molecular formula C21H25ClN4S and a molecular weight of 400.98 g/mol. Its IUPAC name is N-[3-(3-chlorophenyl)propyl]-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-amine.

Molecular Properties

Compound NameN-[3-(3-chlorophenyl)propyl]-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-amine
PubChem CID156555049
Molecular FormulaC21H25ClN4S
Molecular Weight400.98 g/mol
Exact Mass400.15
IUPAC NameN-[3-(3-chlorophenyl)propyl]-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-amine
SMILESCc1csc2c(N3CCC(NCCCc4cccc(Cl)c4)CC3)ncnc12
InChIInChI=1S/C21H25ClN4S/c1-15-13-27-20-19(15)24-14-25-21(20)26-10-7-18(8-11-26)23-9-3-5-16-4-2-6-17(22)12-16/h2,4,6,12-14,18,23H,3,5,7-11H2,1H3
InChIKeyBNXJYVUZXIEHHH-UHFFFAOYSA-N
XLogP4.84
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.98
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Benzothieno[3,2-d]pyrimidine deriv. 52
CID 5328400
Pyridothieno[3,2-d]pyrimidine deriv. 74
CID 5328422
6-chloro-2-(4-methylpiperazin-1-yl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine
CID 25147772
8-Chloro-4-(4-methylpiperazin-1-yl)-[1]benzothiolo[3,2-d]pyrimidin-2-amine
CID 24826169
4-[(4-chlorophenyl)methylsulfanyl]-N,N-dimethylpyrido[1,2]thieno[3,4-d]pyrimidin-9-amine
CID 1069463
Pmid18178086C15
CID 73755255
N-(1-benzylpiperidin-4-yl)-7-methylthieno[3,2-d]pyrimidin-4-amine
CID 2808818
N-[2-(4-chlorophenyl)ethyl]-5-methylthieno[2,3-d]pyrimidin-4-amine
CID 2808291
N-[2-(4-chlorophenyl)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 2808613
5-methyl-N-[1-(phenylmethyl)-4-piperidinyl]-4-thieno[2,3-d]pyrimidinamine
CID 2808819
4-(1-Piperazinyl)[1]benzothieno[3,2-d]pyrimidine
CID 11680606
5-chloro-6-ethyl-N-[1-(3-methylbenzothiophen-2-yl)ethyl]pyrimidin-4-amine
CID 16076206

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-chlorophenyl)propyl]-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-amine?
The IUPAC name of N-[3-(3-chlorophenyl)propyl]-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-amine (CID 156555049) is N-[3-(3-chlorophenyl)propyl]-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-amine.
What is the SMILES notation for N-[3-(3-chlorophenyl)propyl]-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-amine?
The canonical SMILES for N-[3-(3-chlorophenyl)propyl]-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-amine is Cc1csc2c(N3CCC(NCCCc4cccc(Cl)c4)CC3)ncnc12.
What is the InChIKey of N-[3-(3-chlorophenyl)propyl]-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-amine?
The InChIKey is BNXJYVUZXIEHHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN4S/c1-15-13-27-20-19(15)24-14-25-21(20)26-10-7-18(8-11-26)23-9-3-5-16-4-2-6-17(22)12-16/h2,4,6,12-14,18,23H,3,5,7-11H2,1H3.
What are the key properties of N-[3-(3-chlorophenyl)propyl]-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-amine?
N-[3-(3-chlorophenyl)propyl]-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-amine has a molecular weight of 400.98 g/mol, XLogP of 4.84, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-chlorophenyl)propyl]-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-amine is sourced from PubChem (CID 156555049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).