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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Related Compounds

2-methyl-3-(4-quinoxalin-2-ylpiperazin-1-yl)quinoxaline
CID 108776804
N-ethyl-4-[4-(2-methylpyrido[3,4-d]pyrimidin-4-yl)piperazin-1-yl]pyrimidin-2-amine
CID 155976450
N-[(4-methylphenyl)methyl]-4-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine
CID 112890443
4-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-N-ethylpyrimidin-2-amine
CID 166601436
N-ethyl-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrimidin-2-amine
CID 80754129
N-(pyridin-2-ylmethyl)-4-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine
CID 112893321
N-pentyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-2-amine
CID 112898903
2-[4-[2-(ethylamino)pyrimidin-4-yl]piperazin-1-yl]cyclohexan-1-ol
CID 163351033
N-ethyl-4-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]pyrimidin-2-amine
CID 163346622
4-(benzimidazol-1-yl)-N-ethylpyrimidin-2-amine
CID 80854162
4-(4-benzylpiperazin-1-yl)-N-propylpyrimidin-2-amine
CID 112881929
1-[2-(ethylamino)pyrimidin-4-yl]piperidin-3-ol
CID 53485967

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).