4-N-(2,5-dichlorophenyl)-6-(4-ethylpiperazin-1-yl)pyrimidine-4,5-diamine

C16H20Cl2N6 — CID 19138393

IUPAC4-N-(2,5-dichlorophenyl)-6-(4-ethylpiperazin-1-yl)pyrimidine-4,5-diamine
SMILESCCN1CCN(c2ncnc(Nc3cc(Cl)ccc3Cl)c2N)CC1
InChIInChI=1S/C16H20Cl2N6/c1-2-23-5-7-24(8-6-23)16-14(19)15(20-10-21-16)22-13-9-11(17)3-4-12(13)18/h3-4,9-10H,2,5-8,19H2,1H3,(H,20,21,22)
InChIKeyNKBLEWCGRKJUGK-UHFFFAOYSA-N
MW367.28 g/mol
LogP3.25
Rot. Bonds4

About 4-N-(2,5-dichlorophenyl)-6-(4-ethylpiperazin-1-yl)pyrimidine-4,5-diamine

4-N-(2,5-dichlorophenyl)-6-(4-ethylpiperazin-1-yl)pyrimidine-4,5-diamine (PubChem CID 19138393) has the molecular formula C16H20Cl2N6 and a molecular weight of 367.28 g/mol. Its IUPAC name is 4-N-(2,5-dichlorophenyl)-6-(4-ethylpiperazin-1-yl)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N-(2,5-dichlorophenyl)-6-(4-ethylpiperazin-1-yl)pyrimidine-4,5-diamine
PubChem CID19138393
Molecular FormulaC16H20Cl2N6
Molecular Weight367.28 g/mol
Exact Mass366.11
IUPAC Name4-N-(2,5-dichlorophenyl)-6-(4-ethylpiperazin-1-yl)pyrimidine-4,5-diamine
SMILESCCN1CCN(c2ncnc(Nc3cc(Cl)ccc3Cl)c2N)CC1
InChIInChI=1S/C16H20Cl2N6/c1-2-23-5-7-24(8-6-23)16-14(19)15(20-10-21-16)22-13-9-11(17)3-4-12(13)18/h3-4,9-10H,2,5-8,19H2,1H3,(H,20,21,22)
InChIKeyNKBLEWCGRKJUGK-UHFFFAOYSA-N
XLogP3.25
TPSA70.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.28
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-(2,4-dichlorophenyl)-6-(4-ethylpiperazin-1-yl)pyrimidine-4,5-diamine
CID 19138421
4-N-(2,5-dichlorophenyl)-6-pyrrolidin-1-ylpyrimidine-4,5-diamine
CID 19137305
4-N-(2,5-dichlorophenyl)-6-morpholin-4-ylpyrimidine-4,5-diamine
CID 19137671
4-N-(3,5-dimethylphenyl)-6-(4-ethylpiperazin-1-yl)pyrimidine-4,5-diamine
CID 22540923
4-(4-ethylpiperazin-1-yl)-6-hydrazinylpyrimidin-5-amine
CID 19138427
6-(4-benzylpiperazin-1-yl)-4-N-(2-chlorophenyl)pyrimidine-4,5-diamine
CID 19139283
N-(2,4-dichlorophenyl)-6-(4-ethylpiperazin-1-yl)-5-nitropyrimidin-4-amine
CID 23490328
6-[4-(3-chlorophenyl)piperazin-1-yl]-4-N-(2,4-dichlorophenyl)pyrimidine-4,5-diamine
CID 19139127
4-N-(2-chlorophenyl)-6-[4-(3-chlorophenyl)piperazin-1-yl]pyrimidine-4,5-diamine
CID 19139109
4-N-(5-chloro-2-methoxyphenyl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-4,5-diamine
CID 22546098
4-N-(2,4-dichlorophenyl)-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidine-4,5-diamine
CID 19149844
4-N-(2,5-difluorophenyl)-6-(4-methylpiperazin-1-yl)pyrimidine-4,5-diamine
CID 19138304

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,5-dichlorophenyl)-6-(4-ethylpiperazin-1-yl)pyrimidine-4,5-diamine?
The IUPAC name of 4-N-(2,5-dichlorophenyl)-6-(4-ethylpiperazin-1-yl)pyrimidine-4,5-diamine (CID 19138393) is 4-N-(2,5-dichlorophenyl)-6-(4-ethylpiperazin-1-yl)pyrimidine-4,5-diamine.
What is the SMILES notation for 4-N-(2,5-dichlorophenyl)-6-(4-ethylpiperazin-1-yl)pyrimidine-4,5-diamine?
The canonical SMILES for 4-N-(2,5-dichlorophenyl)-6-(4-ethylpiperazin-1-yl)pyrimidine-4,5-diamine is CCN1CCN(c2ncnc(Nc3cc(Cl)ccc3Cl)c2N)CC1.
What is the InChIKey of 4-N-(2,5-dichlorophenyl)-6-(4-ethylpiperazin-1-yl)pyrimidine-4,5-diamine?
The InChIKey is NKBLEWCGRKJUGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20Cl2N6/c1-2-23-5-7-24(8-6-23)16-14(19)15(20-10-21-16)22-13-9-11(17)3-4-12(13)18/h3-4,9-10H,2,5-8,19H2,1H3,(H,20,21,22).
What are the key properties of 4-N-(2,5-dichlorophenyl)-6-(4-ethylpiperazin-1-yl)pyrimidine-4,5-diamine?
4-N-(2,5-dichlorophenyl)-6-(4-ethylpiperazin-1-yl)pyrimidine-4,5-diamine has a molecular weight of 367.28 g/mol, XLogP of 3.25, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,5-dichlorophenyl)-6-(4-ethylpiperazin-1-yl)pyrimidine-4,5-diamine is sourced from PubChem (CID 19138393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).