N-ethyl-2-(4-ethylpiperazin-1-yl)-N,6-diphenylpyrimidin-4-amine

C24H29N5 — CID 112936528

IUPACN-ethyl-2-(4-ethylpiperazin-1-yl)-N,6-diphenylpyrimidin-4-amine
SMILESCCN1CCN(c2nc(-c3ccccc3)cc(N(CC)c3ccccc3)n2)CC1
InChIInChI=1S/C24H29N5/c1-3-27-15-17-28(18-16-27)24-25-22(20-11-7-5-8-12-20)19-23(26-24)29(4-2)21-13-9-6-10-14-21/h5-14,19H,3-4,15-18H2,1-2H3
InChIKeyMXYLOSXXNVDVMC-UHFFFAOYSA-N
MW387.53 g/mol
LogP4.44
Rot. Bonds6

About N-ethyl-2-(4-ethylpiperazin-1-yl)-N,6-diphenylpyrimidin-4-amine

N-ethyl-2-(4-ethylpiperazin-1-yl)-N,6-diphenylpyrimidin-4-amine (PubChem CID 112936528) has the molecular formula C24H29N5 and a molecular weight of 387.53 g/mol. Its IUPAC name is N-ethyl-2-(4-ethylpiperazin-1-yl)-N,6-diphenylpyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-2-(4-ethylpiperazin-1-yl)-N,6-diphenylpyrimidin-4-amine
PubChem CID112936528
Molecular FormulaC24H29N5
Molecular Weight387.53 g/mol
Exact Mass387.24
IUPAC NameN-ethyl-2-(4-ethylpiperazin-1-yl)-N,6-diphenylpyrimidin-4-amine
SMILESCCN1CCN(c2nc(-c3ccccc3)cc(N(CC)c3ccccc3)n2)CC1
InChIInChI=1S/C24H29N5/c1-3-27-15-17-28(18-16-27)24-25-22(20-11-7-5-8-12-20)19-23(26-24)29(4-2)21-13-9-6-10-14-21/h5-14,19H,3-4,15-18H2,1-2H3
InChIKeyMXYLOSXXNVDVMC-UHFFFAOYSA-N
XLogP4.44
TPSA35.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.53
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(4-ethylpiperazin-1-yl)-N,6-diphenylpyrimidin-4-amine?
The IUPAC name of N-ethyl-2-(4-ethylpiperazin-1-yl)-N,6-diphenylpyrimidin-4-amine (CID 112936528) is N-ethyl-2-(4-ethylpiperazin-1-yl)-N,6-diphenylpyrimidin-4-amine.
What is the SMILES notation for N-ethyl-2-(4-ethylpiperazin-1-yl)-N,6-diphenylpyrimidin-4-amine?
The canonical SMILES for N-ethyl-2-(4-ethylpiperazin-1-yl)-N,6-diphenylpyrimidin-4-amine is CCN1CCN(c2nc(-c3ccccc3)cc(N(CC)c3ccccc3)n2)CC1.
What is the InChIKey of N-ethyl-2-(4-ethylpiperazin-1-yl)-N,6-diphenylpyrimidin-4-amine?
The InChIKey is MXYLOSXXNVDVMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5/c1-3-27-15-17-28(18-16-27)24-25-22(20-11-7-5-8-12-20)19-23(26-24)29(4-2)21-13-9-6-10-14-21/h5-14,19H,3-4,15-18H2,1-2H3.
What are the key properties of N-ethyl-2-(4-ethylpiperazin-1-yl)-N,6-diphenylpyrimidin-4-amine?
N-ethyl-2-(4-ethylpiperazin-1-yl)-N,6-diphenylpyrimidin-4-amine has a molecular weight of 387.53 g/mol, XLogP of 4.44, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(4-ethylpiperazin-1-yl)-N,6-diphenylpyrimidin-4-amine is sourced from PubChem (CID 112936528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).