7-[5-methoxy-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidin-4-yl]-N,N-dimethylquinoxalin-2-amine

C24H27N9O — CID 166631575

IUPAC7-[5-methoxy-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidin-4-yl]-N,N-dimethylquinoxalin-2-amine
SMILESCOc1cnc(Nc2ccc(N3CCNCC3)cn2)nc1-c1ccc2ncc(N(C)C)nc2c1
InChIInChI=1S/C24H27N9O/c1-32(2)22-15-26-18-6-4-16(12-19(18)29-22)23-20(34-3)14-28-24(31-23)30-21-7-5-17(13-27-21)33-10-8-25-9-11-33/h4-7,12-15,25H,8-11H2,1-3H3,(H,27,28,30,31)
InChIKeyPYGDDWKLNMOEIZ-UHFFFAOYSA-N
MW457.54 g/mol
LogP2.71
Rot. Bonds6

About 7-[5-methoxy-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidin-4-yl]-N,N-dimethylquinoxalin-2-amine

7-[5-methoxy-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidin-4-yl]-N,N-dimethylquinoxalin-2-amine (PubChem CID 166631575) has the molecular formula C24H27N9O and a molecular weight of 457.54 g/mol. Its IUPAC name is 7-[5-methoxy-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidin-4-yl]-N,N-dimethylquinoxalin-2-amine.

Molecular Properties

Compound Name7-[5-methoxy-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidin-4-yl]-N,N-dimethylquinoxalin-2-amine
PubChem CID166631575
Molecular FormulaC24H27N9O
Molecular Weight457.54 g/mol
Exact Mass457.23
IUPAC Name7-[5-methoxy-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidin-4-yl]-N,N-dimethylquinoxalin-2-amine
SMILESCOc1cnc(Nc2ccc(N3CCNCC3)cn2)nc1-c1ccc2ncc(N(C)C)nc2c1
InChIInChI=1S/C24H27N9O/c1-32(2)22-15-26-18-6-4-16(12-19(18)29-22)23-20(34-3)14-28-24(31-23)30-21-7-5-17(13-27-21)33-10-8-25-9-11-33/h4-7,12-15,25H,8-11H2,1-3H3,(H,27,28,30,31)
InChIKeyPYGDDWKLNMOEIZ-UHFFFAOYSA-N
XLogP2.71
TPSA104.22 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.54
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 7-[5-methoxy-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidin-4-yl]-N,N-dimethylquinoxalin-2-amine?
The IUPAC name of 7-[5-methoxy-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidin-4-yl]-N,N-dimethylquinoxalin-2-amine (CID 166631575) is 7-[5-methoxy-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidin-4-yl]-N,N-dimethylquinoxalin-2-amine.
What is the SMILES notation for 7-[5-methoxy-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidin-4-yl]-N,N-dimethylquinoxalin-2-amine?
The canonical SMILES for 7-[5-methoxy-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidin-4-yl]-N,N-dimethylquinoxalin-2-amine is COc1cnc(Nc2ccc(N3CCNCC3)cn2)nc1-c1ccc2ncc(N(C)C)nc2c1.
What is the InChIKey of 7-[5-methoxy-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidin-4-yl]-N,N-dimethylquinoxalin-2-amine?
The InChIKey is PYGDDWKLNMOEIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N9O/c1-32(2)22-15-26-18-6-4-16(12-19(18)29-22)23-20(34-3)14-28-24(31-23)30-21-7-5-17(13-27-21)33-10-8-25-9-11-33/h4-7,12-15,25H,8-11H2,1-3H3,(H,27,28,30,31).
What are the key properties of 7-[5-methoxy-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidin-4-yl]-N,N-dimethylquinoxalin-2-amine?
7-[5-methoxy-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidin-4-yl]-N,N-dimethylquinoxalin-2-amine has a molecular weight of 457.54 g/mol, XLogP of 2.71, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[5-methoxy-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidin-4-yl]-N,N-dimethylquinoxalin-2-amine is sourced from PubChem (CID 166631575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).