5-[4-[3-(2-ethylpyrimidin-5-yl)phenyl]piperazin-1-yl]pyrimidine-2,4-diamine

C20H24N8 — CID 166611745

IUPAC5-[4-[3-(2-ethylpyrimidin-5-yl)phenyl]piperazin-1-yl]pyrimidine-2,4-diamine
SMILESCCc1ncc(-c2cccc(N3CCN(c4cnc(N)nc4N)CC3)c2)cn1
InChIInChI=1S/C20H24N8/c1-2-18-23-11-15(12-24-18)14-4-3-5-16(10-14)27-6-8-28(9-7-27)17-13-25-20(22)26-19(17)21/h3-5,10-13H,2,6-9H2,1H3,(H4,21,22,25,26)
InChIKeySPARCVYMDVDWRD-UHFFFAOYSA-N
MW376.47 g/mol
LogP1.99
Rot. Bonds4

About 5-[4-[3-(2-ethylpyrimidin-5-yl)phenyl]piperazin-1-yl]pyrimidine-2,4-diamine

5-[4-[3-(2-ethylpyrimidin-5-yl)phenyl]piperazin-1-yl]pyrimidine-2,4-diamine (PubChem CID 166611745) has the molecular formula C20H24N8 and a molecular weight of 376.47 g/mol. Its IUPAC name is 5-[4-[3-(2-ethylpyrimidin-5-yl)phenyl]piperazin-1-yl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-[4-[3-(2-ethylpyrimidin-5-yl)phenyl]piperazin-1-yl]pyrimidine-2,4-diamine
PubChem CID166611745
Molecular FormulaC20H24N8
Molecular Weight376.47 g/mol
Exact Mass376.21
IUPAC Name5-[4-[3-(2-ethylpyrimidin-5-yl)phenyl]piperazin-1-yl]pyrimidine-2,4-diamine
SMILESCCc1ncc(-c2cccc(N3CCN(c4cnc(N)nc4N)CC3)c2)cn1
InChIInChI=1S/C20H24N8/c1-2-18-23-11-15(12-24-18)14-4-3-5-16(10-14)27-6-8-28(9-7-27)17-13-25-20(22)26-19(17)21/h3-5,10-13H,2,6-9H2,1H3,(H4,21,22,25,26)
InChIKeySPARCVYMDVDWRD-UHFFFAOYSA-N
XLogP1.99
TPSA110.08 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.47
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 5-[4-[3-(2-ethylpyrimidin-5-yl)phenyl]piperazin-1-yl]pyrimidine-2,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[4-[3-(2-ethylpyrimidin-5-yl)phenyl]piperazin-1-yl]pyrimidine-2,4-diamine?
The IUPAC name of 5-[4-[3-(2-ethylpyrimidin-5-yl)phenyl]piperazin-1-yl]pyrimidine-2,4-diamine (CID 166611745) is 5-[4-[3-(2-ethylpyrimidin-5-yl)phenyl]piperazin-1-yl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-[4-[3-(2-ethylpyrimidin-5-yl)phenyl]piperazin-1-yl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-[4-[3-(2-ethylpyrimidin-5-yl)phenyl]piperazin-1-yl]pyrimidine-2,4-diamine is CCc1ncc(-c2cccc(N3CCN(c4cnc(N)nc4N)CC3)c2)cn1.
What is the InChIKey of 5-[4-[3-(2-ethylpyrimidin-5-yl)phenyl]piperazin-1-yl]pyrimidine-2,4-diamine?
The InChIKey is SPARCVYMDVDWRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N8/c1-2-18-23-11-15(12-24-18)14-4-3-5-16(10-14)27-6-8-28(9-7-27)17-13-25-20(22)26-19(17)21/h3-5,10-13H,2,6-9H2,1H3,(H4,21,22,25,26).
What are the key properties of 5-[4-[3-(2-ethylpyrimidin-5-yl)phenyl]piperazin-1-yl]pyrimidine-2,4-diamine?
5-[4-[3-(2-ethylpyrimidin-5-yl)phenyl]piperazin-1-yl]pyrimidine-2,4-diamine has a molecular weight of 376.47 g/mol, XLogP of 1.99, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[3-(2-ethylpyrimidin-5-yl)phenyl]piperazin-1-yl]pyrimidine-2,4-diamine is sourced from PubChem (CID 166611745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).