N'-[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]propane-1,3-diamine

C15H15ClN4S — CID 28850288

IUPACN'-[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]propane-1,3-diamine
SMILESNCCCNc1ncnc2scc(-c3ccc(Cl)cc3)c12
InChIInChI=1S/C15H15ClN4S/c16-11-4-2-10(3-5-11)12-8-21-15-13(12)14(19-9-20-15)18-7-1-6-17/h2-5,8-9H,1,6-7,17H2,(H,18,19,20)
InChIKeyPIBYLYFGMPAUDZ-UHFFFAOYSA-N
MW318.83 g/mol
LogP3.77
Rot. Bonds5

About N'-[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]propane-1,3-diamine

N'-[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]propane-1,3-diamine (PubChem CID 28850288) has the molecular formula C15H15ClN4S and a molecular weight of 318.83 g/mol. Its IUPAC name is N'-[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]propane-1,3-diamine
PubChem CID28850288
Molecular FormulaC15H15ClN4S
Molecular Weight318.83 g/mol
Exact Mass318.07
IUPAC NameN'-[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]propane-1,3-diamine
SMILESNCCCNc1ncnc2scc(-c3ccc(Cl)cc3)c12
InChIInChI=1S/C15H15ClN4S/c16-11-4-2-10(3-5-11)12-8-21-15-13(12)14(19-9-20-15)18-7-1-6-17/h2-5,8-9H,1,6-7,17H2,(H,18,19,20)
InChIKeyPIBYLYFGMPAUDZ-UHFFFAOYSA-N
XLogP3.77
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.83
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]-N-naphthalen-1-ylethane-1,2-diamine
CID 28505096
5-(4-chlorophenyl)-N-[(4-methylphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 17010811
(2R)-1-[[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]propan-2-ol
CID 9310899
5-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]pentan-1-ol
CID 28849745
5-(4-chlorophenyl)-N-(oxolan-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 2791477
5-(4-chlorophenyl)-N-(2,6-dichlorophenyl)thieno[2,3-d]pyrimidin-4-amine
CID 28695571
N-(5-chloro-2-methylphenyl)-5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-amine
CID 21009781
N-[5-(4-bromophenyl)thieno[2,3-d]pyrimidin-4-yl]-N'-pyrimidin-2-ylethane-1,2-diamine
CID 166194522
5-(4-chlorophenyl)-N-[(2,4-dimethoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 46347959
5-(4-chlorophenyl)-N-(3,5-dimethylphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 3820162
N-(2-chlorophenyl)-5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-amine
CID 21009623
5-(4-chlorophenyl)-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 18204073

Frequently Asked Questions

What is the IUPAC name of N'-[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]propane-1,3-diamine?
The IUPAC name of N'-[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]propane-1,3-diamine (CID 28850288) is N'-[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]propane-1,3-diamine.
What is the SMILES notation for N'-[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]propane-1,3-diamine?
The canonical SMILES for N'-[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]propane-1,3-diamine is NCCCNc1ncnc2scc(-c3ccc(Cl)cc3)c12.
What is the InChIKey of N'-[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]propane-1,3-diamine?
The InChIKey is PIBYLYFGMPAUDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN4S/c16-11-4-2-10(3-5-11)12-8-21-15-13(12)14(19-9-20-15)18-7-1-6-17/h2-5,8-9H,1,6-7,17H2,(H,18,19,20).
What are the key properties of N'-[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]propane-1,3-diamine?
N'-[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]propane-1,3-diamine has a molecular weight of 318.83 g/mol, XLogP of 3.77, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]propane-1,3-diamine is sourced from PubChem (CID 28850288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).