5-(4-chlorophenyl)-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]thieno[2,3-d]pyrimidin-4-amine

C22H20ClN5S — CID 18204073

IUPAC5-(4-chlorophenyl)-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]thieno[2,3-d]pyrimidin-4-amine
SMILESClc1ccc(-c2csc3ncnc(NCc4ccnc(N5CCCC5)c4)c23)cc1
InChIInChI=1S/C22H20ClN5S/c23-17-5-3-16(4-6-17)18-13-29-22-20(18)21(26-14-27-22)25-12-15-7-8-24-19(11-15)28-9-1-2-10-28/h3-8,11,13-14H,1-2,9-10,12H2,(H,25,26,27)
InChIKeyXLAHSWRLRYUBCZ-UHFFFAOYSA-N
MW421.96 g/mol
LogP5.62
Rot. Bonds5

About 5-(4-chlorophenyl)-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]thieno[2,3-d]pyrimidin-4-amine

5-(4-chlorophenyl)-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 18204073) has the molecular formula C22H20ClN5S and a molecular weight of 421.96 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID18204073
Molecular FormulaC22H20ClN5S
Molecular Weight421.96 g/mol
Exact Mass421.11
IUPAC Name5-(4-chlorophenyl)-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]thieno[2,3-d]pyrimidin-4-amine
SMILESClc1ccc(-c2csc3ncnc(NCc4ccnc(N5CCCC5)c4)c23)cc1
InChIInChI=1S/C22H20ClN5S/c23-17-5-3-16(4-6-17)18-13-29-22-20(18)21(26-14-27-22)25-12-15-7-8-24-19(11-15)28-9-1-2-10-28/h3-8,11,13-14H,1-2,9-10,12H2,(H,25,26,27)
InChIKeyXLAHSWRLRYUBCZ-UHFFFAOYSA-N
XLogP5.62
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.96
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-(4-chlorophenyl)-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]thieno[2,3-d]pyrimidin-4-amine with MolForge

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Related Compounds

5-(4-methylphenyl)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 55570703
5-(4-chlorophenyl)-N-[(4-methylphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 17010811
N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 18167052
2-(methoxymethyl)-5-phenyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 133278921
N'-[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]propane-1,3-diamine
CID 28850288
5-(4-chlorophenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine
CID 1325173
methyl 5-[[[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]-2-methoxybenzoate
CID 18282558
5-(4-chlorophenyl)-N-(oxolan-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 2791477
(2R)-1-[[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]propan-2-ol
CID 9310899
5-(4-chlorophenyl)-N-[(2,4-dimethoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 46347959
2-[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-1-pyrrolidin-1-ylethanone
CID 2085156
5-(4-chlorophenyl)-N-[(2R)-3-methyl-2-(4-methylpiperazin-1-yl)butyl]thieno[2,3-d]pyrimidin-4-amine
CID 30739071

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5-(4-chlorophenyl)-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]thieno[2,3-d]pyrimidin-4-amine (CID 18204073) is 5-(4-chlorophenyl)-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5-(4-chlorophenyl)-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5-(4-chlorophenyl)-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]thieno[2,3-d]pyrimidin-4-amine is Clc1ccc(-c2csc3ncnc(NCc4ccnc(N5CCCC5)c4)c23)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is XLAHSWRLRYUBCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN5S/c23-17-5-3-16(4-6-17)18-13-29-22-20(18)21(26-14-27-22)25-12-15-7-8-24-19(11-15)28-9-1-2-10-28/h3-8,11,13-14H,1-2,9-10,12H2,(H,25,26,27).
What are the key properties of 5-(4-chlorophenyl)-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]thieno[2,3-d]pyrimidin-4-amine?
5-(4-chlorophenyl)-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 421.96 g/mol, XLogP of 5.62, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 18204073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).