1-(2-chloro-7-methylthieno[3,2-d]pyrimidin-4-yl)-N-(3-pyridin-4-ylpropyl)piperidin-4-amine

C20H24ClN5S — CID 156539124

IUPAC1-(2-chloro-7-methylthieno[3,2-d]pyrimidin-4-yl)-N-(3-pyridin-4-ylpropyl)piperidin-4-amine
SMILESCc1csc2c(N3CCC(NCCCc4ccncc4)CC3)nc(Cl)nc12
InChIInChI=1S/C20H24ClN5S/c1-14-13-27-18-17(14)24-20(21)25-19(18)26-11-6-16(7-12-26)23-8-2-3-15-4-9-22-10-5-15/h4-5,9-10,13,16,23H,2-3,6-8,11-12H2,1H3
InChIKeyQYQVQQDPXSWSDX-UHFFFAOYSA-N
MW401.97 g/mol
LogP4.24
Rot. Bonds6

About 1-(2-chloro-7-methylthieno[3,2-d]pyrimidin-4-yl)-N-(3-pyridin-4-ylpropyl)piperidin-4-amine

1-(2-chloro-7-methylthieno[3,2-d]pyrimidin-4-yl)-N-(3-pyridin-4-ylpropyl)piperidin-4-amine (PubChem CID 156539124) has the molecular formula C20H24ClN5S and a molecular weight of 401.97 g/mol. Its IUPAC name is 1-(2-chloro-7-methylthieno[3,2-d]pyrimidin-4-yl)-N-(3-pyridin-4-ylpropyl)piperidin-4-amine.

Molecular Properties

Compound Name1-(2-chloro-7-methylthieno[3,2-d]pyrimidin-4-yl)-N-(3-pyridin-4-ylpropyl)piperidin-4-amine
PubChem CID156539124
Molecular FormulaC20H24ClN5S
Molecular Weight401.97 g/mol
Exact Mass401.14
IUPAC Name1-(2-chloro-7-methylthieno[3,2-d]pyrimidin-4-yl)-N-(3-pyridin-4-ylpropyl)piperidin-4-amine
SMILESCc1csc2c(N3CCC(NCCCc4ccncc4)CC3)nc(Cl)nc12
InChIInChI=1S/C20H24ClN5S/c1-14-13-27-18-17(14)24-20(21)25-19(18)26-11-6-16(7-12-26)23-8-2-3-15-4-9-22-10-5-15/h4-5,9-10,13,16,23H,2-3,6-8,11-12H2,1H3
InChIKeyQYQVQQDPXSWSDX-UHFFFAOYSA-N
XLogP4.24
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.97
LogP ≤ 54.24
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-[1-(2-chloro-7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]-2,2-dimethyl-3-pyridin-4-ylpropanamide
CID 156539005
1-[2-[3-[1-[[1-(2,7-dimethylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]amino]-3-pyridin-4-ylpropyl]-4-methylpiperazin-1-yl]-7-methylthieno[3,2-d]pyrimidin-4-yl]-N-(3-pyridin-4-ylpropyl)piperidin-4-amine
CID 156555121
4-[3-[[1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]amino]propyl]benzonitrile
CID 156539085
N-[3-(3-chlorophenyl)propyl]-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-amine
CID 156555049
N-(3-pyridin-4-ylpropyl)cyclopropanamine
CID 62549515
N-[3-(3-chlorophenyl)propyl]-1-(7-methylsulfanylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-amine
CID 175315760
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-methyl-N-(2-pyridin-4-ylethyl)piperidin-4-amine
CID 60864534
N'-(1-pyridin-4-ylpiperidin-4-yl)butane-1,4-diamine
CID 60895619
1-(7-methylthieno[3,2-d]pyrimidin-4-yl)-N-[(E)-3-phenylprop-2-enyl]piperidin-4-amine
CID 156539132
1-(2-chloro-7-methylthieno[3,2-d]pyrimidin-4-yl)-3-N-[6-[3-(diethylamino)pyrrolidin-1-yl]-3-pyridinyl]-1,2,4-triazole-3,5-diamine
CID 42602515
N-(3-ethoxypropyl)-1-pyridin-4-ylpiperidin-4-amine
CID 43166978

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-7-methylthieno[3,2-d]pyrimidin-4-yl)-N-(3-pyridin-4-ylpropyl)piperidin-4-amine?
The IUPAC name of 1-(2-chloro-7-methylthieno[3,2-d]pyrimidin-4-yl)-N-(3-pyridin-4-ylpropyl)piperidin-4-amine (CID 156539124) is 1-(2-chloro-7-methylthieno[3,2-d]pyrimidin-4-yl)-N-(3-pyridin-4-ylpropyl)piperidin-4-amine.
What is the SMILES notation for 1-(2-chloro-7-methylthieno[3,2-d]pyrimidin-4-yl)-N-(3-pyridin-4-ylpropyl)piperidin-4-amine?
The canonical SMILES for 1-(2-chloro-7-methylthieno[3,2-d]pyrimidin-4-yl)-N-(3-pyridin-4-ylpropyl)piperidin-4-amine is Cc1csc2c(N3CCC(NCCCc4ccncc4)CC3)nc(Cl)nc12.
What is the InChIKey of 1-(2-chloro-7-methylthieno[3,2-d]pyrimidin-4-yl)-N-(3-pyridin-4-ylpropyl)piperidin-4-amine?
The InChIKey is QYQVQQDPXSWSDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN5S/c1-14-13-27-18-17(14)24-20(21)25-19(18)26-11-6-16(7-12-26)23-8-2-3-15-4-9-22-10-5-15/h4-5,9-10,13,16,23H,2-3,6-8,11-12H2,1H3.
What are the key properties of 1-(2-chloro-7-methylthieno[3,2-d]pyrimidin-4-yl)-N-(3-pyridin-4-ylpropyl)piperidin-4-amine?
1-(2-chloro-7-methylthieno[3,2-d]pyrimidin-4-yl)-N-(3-pyridin-4-ylpropyl)piperidin-4-amine has a molecular weight of 401.97 g/mol, XLogP of 4.24, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-7-methylthieno[3,2-d]pyrimidin-4-yl)-N-(3-pyridin-4-ylpropyl)piperidin-4-amine is sourced from PubChem (CID 156539124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).