2-N-[3-[2-(4-ethylpiperazin-1-yl)ethyl]phenyl]-4-N-methylpyrimidine-2,4-diamine

C19H28N6 — CID 171509372

IUPAC2-N-[3-[2-(4-ethylpiperazin-1-yl)ethyl]phenyl]-4-N-methylpyrimidine-2,4-diamine
SMILESCCN1CCN(CCc2cccc(Nc3nccc(NC)n3)c2)CC1
InChIInChI=1S/C19H28N6/c1-3-24-11-13-25(14-12-24)10-8-16-5-4-6-17(15-16)22-19-21-9-7-18(20-2)23-19/h4-7,9,15H,3,8,10-14H2,1-2H3,(H2,20,21,22,23)
InChIKeyJFPSFANRCVPMCL-UHFFFAOYSA-N
MW340.48 g/mol
LogP2.44
Rot. Bonds7

About 2-N-[3-[2-(4-ethylpiperazin-1-yl)ethyl]phenyl]-4-N-methylpyrimidine-2,4-diamine

2-N-[3-[2-(4-ethylpiperazin-1-yl)ethyl]phenyl]-4-N-methylpyrimidine-2,4-diamine (PubChem CID 171509372) has the molecular formula C19H28N6 and a molecular weight of 340.48 g/mol. Its IUPAC name is 2-N-[3-[2-(4-ethylpiperazin-1-yl)ethyl]phenyl]-4-N-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-[3-[2-(4-ethylpiperazin-1-yl)ethyl]phenyl]-4-N-methylpyrimidine-2,4-diamine
PubChem CID171509372
Molecular FormulaC19H28N6
Molecular Weight340.48 g/mol
Exact Mass340.24
IUPAC Name2-N-[3-[2-(4-ethylpiperazin-1-yl)ethyl]phenyl]-4-N-methylpyrimidine-2,4-diamine
SMILESCCN1CCN(CCc2cccc(Nc3nccc(NC)n3)c2)CC1
InChIInChI=1S/C19H28N6/c1-3-24-11-13-25(14-12-24)10-8-16-5-4-6-17(15-16)22-19-21-9-7-18(20-2)23-19/h4-7,9,15H,3,8,10-14H2,1-2H3,(H2,20,21,22,23)
InChIKeyJFPSFANRCVPMCL-UHFFFAOYSA-N
XLogP2.44
TPSA56.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.48
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N-[3-[2-(4-ethylpiperazin-1-yl)ethyl]phenyl]-4-N-methylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-[3-[2-(4-ethylpiperazin-1-yl)ethyl]phenyl]-4-N-methylpyrimidine-2,4-diamine (CID 171509372) is 2-N-[3-[2-(4-ethylpiperazin-1-yl)ethyl]phenyl]-4-N-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-[3-[2-(4-ethylpiperazin-1-yl)ethyl]phenyl]-4-N-methylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-[3-[2-(4-ethylpiperazin-1-yl)ethyl]phenyl]-4-N-methylpyrimidine-2,4-diamine is CCN1CCN(CCc2cccc(Nc3nccc(NC)n3)c2)CC1.
What is the InChIKey of 2-N-[3-[2-(4-ethylpiperazin-1-yl)ethyl]phenyl]-4-N-methylpyrimidine-2,4-diamine?
The InChIKey is JFPSFANRCVPMCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6/c1-3-24-11-13-25(14-12-24)10-8-16-5-4-6-17(15-16)22-19-21-9-7-18(20-2)23-19/h4-7,9,15H,3,8,10-14H2,1-2H3,(H2,20,21,22,23).
What are the key properties of 2-N-[3-[2-(4-ethylpiperazin-1-yl)ethyl]phenyl]-4-N-methylpyrimidine-2,4-diamine?
2-N-[3-[2-(4-ethylpiperazin-1-yl)ethyl]phenyl]-4-N-methylpyrimidine-2,4-diamine has a molecular weight of 340.48 g/mol, XLogP of 2.44, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[3-[2-(4-ethylpiperazin-1-yl)ethyl]phenyl]-4-N-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 171509372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).