N-ethyl-4-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]pyrimidin-2-amine

C19H23N7 — CID 155801027

IUPACN-ethyl-4-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]pyrimidin-2-amine
SMILESCCNc1nccc(N2CCN(c3nc4ccccc4nc3C)CC2)n1
InChIInChI=1S/C19H23N7/c1-3-20-19-21-9-8-17(24-19)25-10-12-26(13-11-25)18-14(2)22-15-6-4-5-7-16(15)23-18/h4-9H,3,10-13H2,1-2H3,(H,20,21,24)
InChIKeyUARVIUBSTUABQE-UHFFFAOYSA-N
MW349.44 g/mol
LogP2.49
Rot. Bonds4

About N-ethyl-4-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]pyrimidin-2-amine

N-ethyl-4-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]pyrimidin-2-amine (PubChem CID 155801027) has the molecular formula C19H23N7 and a molecular weight of 349.44 g/mol. Its IUPAC name is N-ethyl-4-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-ethyl-4-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]pyrimidin-2-amine
PubChem CID155801027
Molecular FormulaC19H23N7
Molecular Weight349.44 g/mol
Exact Mass349.20
IUPAC NameN-ethyl-4-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]pyrimidin-2-amine
SMILESCCNc1nccc(N2CCN(c3nc4ccccc4nc3C)CC2)n1
InChIInChI=1S/C19H23N7/c1-3-20-19-21-9-8-17(24-19)25-10-12-26(13-11-25)18-14(2)22-15-6-4-5-7-16(15)23-18/h4-9H,3,10-13H2,1-2H3,(H,20,21,24)
InChIKeyUARVIUBSTUABQE-UHFFFAOYSA-N
XLogP2.49
TPSA70.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]pyrimidin-2-amine?
The IUPAC name of N-ethyl-4-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]pyrimidin-2-amine (CID 155801027) is N-ethyl-4-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]pyrimidin-2-amine.
What is the SMILES notation for N-ethyl-4-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]pyrimidin-2-amine?
The canonical SMILES for N-ethyl-4-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]pyrimidin-2-amine is CCNc1nccc(N2CCN(c3nc4ccccc4nc3C)CC2)n1.
What is the InChIKey of N-ethyl-4-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]pyrimidin-2-amine?
The InChIKey is UARVIUBSTUABQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N7/c1-3-20-19-21-9-8-17(24-19)25-10-12-26(13-11-25)18-14(2)22-15-6-4-5-7-16(15)23-18/h4-9H,3,10-13H2,1-2H3,(H,20,21,24).
What are the key properties of N-ethyl-4-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]pyrimidin-2-amine?
N-ethyl-4-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]pyrimidin-2-amine has a molecular weight of 349.44 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]pyrimidin-2-amine is sourced from PubChem (CID 155801027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).