N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]thieno[2,3-d]pyrimidin-4-amine

C17H21N7S — CID 31408948

IUPACN-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]thieno[2,3-d]pyrimidin-4-amine
SMILESc1cnc(N2CCN(CCCNc3ncnc4sccc34)CC2)nc1
InChIInChI=1S/C17H21N7S/c1-4-19-17(20-5-1)24-10-8-23(9-11-24)7-2-6-18-15-14-3-12-25-16(14)22-13-21-15/h1,3-5,12-13H,2,6-11H2,(H,18,21,22)
InChIKeyYESLBZFVZUAZMD-UHFFFAOYSA-N
MW355.47 g/mol
LogP2.11
Rot. Bonds6

About N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]thieno[2,3-d]pyrimidin-4-amine

N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 31408948) has the molecular formula C17H21N7S and a molecular weight of 355.47 g/mol. Its IUPAC name is N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID31408948
Molecular FormulaC17H21N7S
Molecular Weight355.47 g/mol
Exact Mass355.16
IUPAC NameN-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]thieno[2,3-d]pyrimidin-4-amine
SMILESc1cnc(N2CCN(CCCNc3ncnc4sccc34)CC2)nc1
InChIInChI=1S/C17H21N7S/c1-4-19-17(20-5-1)24-10-8-23(9-11-24)7-2-6-18-15-14-3-12-25-16(14)22-13-21-15/h1,3-5,12-13H,2,6-11H2,(H,18,21,22)
InChIKeyYESLBZFVZUAZMD-UHFFFAOYSA-N
XLogP2.11
TPSA70.07 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.47
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]thieno[2,3-d]pyrimidin-4-amine (CID 31408948) is N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]thieno[2,3-d]pyrimidin-4-amine is c1cnc(N2CCN(CCCNc3ncnc4sccc34)CC2)nc1.
What is the InChIKey of N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is YESLBZFVZUAZMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N7S/c1-4-19-17(20-5-1)24-10-8-23(9-11-24)7-2-6-18-15-14-3-12-25-16(14)22-13-21-15/h1,3-5,12-13H,2,6-11H2,(H,18,21,22).
What are the key properties of N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]thieno[2,3-d]pyrimidin-4-amine?
N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 355.47 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 31408948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).