3,5-diethyl-2-methyl-1-N-(2-piperazin-1-ylpyrimidin-4-yl)benzene-1,4-diamine

C19H28N6 — CID 87466229

IUPAC3,5-diethyl-2-methyl-1-N-(2-piperazin-1-ylpyrimidin-4-yl)benzene-1,4-diamine
SMILESCCc1cc(Nc2ccnc(N3CCNCC3)n2)c(C)c(CC)c1N
InChIInChI=1S/C19H28N6/c1-4-14-12-16(13(3)15(5-2)18(14)20)23-17-6-7-22-19(24-17)25-10-8-21-9-11-25/h6-7,12,21H,4-5,8-11,20H2,1-3H3,(H,22,23,24)
InChIKeyUJARYOLUJFZTQP-UHFFFAOYSA-N
MW340.48 g/mol
LogP2.65
Rot. Bonds5

About 3,5-diethyl-2-methyl-1-N-(2-piperazin-1-ylpyrimidin-4-yl)benzene-1,4-diamine

3,5-diethyl-2-methyl-1-N-(2-piperazin-1-ylpyrimidin-4-yl)benzene-1,4-diamine (PubChem CID 87466229) has the molecular formula C19H28N6 and a molecular weight of 340.48 g/mol. Its IUPAC name is 3,5-diethyl-2-methyl-1-N-(2-piperazin-1-ylpyrimidin-4-yl)benzene-1,4-diamine.

Molecular Properties

Compound Name3,5-diethyl-2-methyl-1-N-(2-piperazin-1-ylpyrimidin-4-yl)benzene-1,4-diamine
PubChem CID87466229
Molecular FormulaC19H28N6
Molecular Weight340.48 g/mol
Exact Mass340.24
IUPAC Name3,5-diethyl-2-methyl-1-N-(2-piperazin-1-ylpyrimidin-4-yl)benzene-1,4-diamine
SMILESCCc1cc(Nc2ccnc(N3CCNCC3)n2)c(C)c(CC)c1N
InChIInChI=1S/C19H28N6/c1-4-14-12-16(13(3)15(5-2)18(14)20)23-17-6-7-22-19(24-17)25-10-8-21-9-11-25/h6-7,12,21H,4-5,8-11,20H2,1-3H3,(H,22,23,24)
InChIKeyUJARYOLUJFZTQP-UHFFFAOYSA-N
XLogP2.65
TPSA79.10 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.48
LogP ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(1,4-diazepan-1-yl)-N-ethylpyrimidin-4-amine
CID 121204945
N-(2-ethylphenyl)-2-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 112896496
5-[(2-piperazin-1-ylpyrimidin-4-yl)amino]-1,3-dihydroinden-2-one
CID 148878335
5-ethyl-4-methyl-2-piperazin-1-ylpyrimidine
CID 103278300
N-(2,6-diethylphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112899009
ethyl 4-[4-(2,3-dimethylanilino)pyrimidin-2-yl]piperazine-1-carboxylate
CID 112898002
N-(2-ethylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112898840
2-(azepan-1-yl)-N-(2-ethyl-6-methylphenyl)pyrimidin-4-amine
CID 112901638
ethyl 4-[4-(2-cyanoanilino)pyrimidin-2-yl]piperazine-1-carboxylate
CID 112898062
4-pentyl-N-[4-[(2-piperazin-1-ylpyrimidin-4-yl)amino]phenyl]benzenesulfonamide
CID 162659384
2-(1,4-diazepan-1-yl)-N-(2-methoxyethyl)pyrimidin-4-amine
CID 94672451
4-[4-[4-(diethylamino)-2-methylanilino]pyrimidin-2-yl]piperazine-1-carbaldehyde
CID 112888796

Frequently Asked Questions

What is the IUPAC name of 3,5-diethyl-2-methyl-1-N-(2-piperazin-1-ylpyrimidin-4-yl)benzene-1,4-diamine?
The IUPAC name of 3,5-diethyl-2-methyl-1-N-(2-piperazin-1-ylpyrimidin-4-yl)benzene-1,4-diamine (CID 87466229) is 3,5-diethyl-2-methyl-1-N-(2-piperazin-1-ylpyrimidin-4-yl)benzene-1,4-diamine.
What is the SMILES notation for 3,5-diethyl-2-methyl-1-N-(2-piperazin-1-ylpyrimidin-4-yl)benzene-1,4-diamine?
The canonical SMILES for 3,5-diethyl-2-methyl-1-N-(2-piperazin-1-ylpyrimidin-4-yl)benzene-1,4-diamine is CCc1cc(Nc2ccnc(N3CCNCC3)n2)c(C)c(CC)c1N.
What is the InChIKey of 3,5-diethyl-2-methyl-1-N-(2-piperazin-1-ylpyrimidin-4-yl)benzene-1,4-diamine?
The InChIKey is UJARYOLUJFZTQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6/c1-4-14-12-16(13(3)15(5-2)18(14)20)23-17-6-7-22-19(24-17)25-10-8-21-9-11-25/h6-7,12,21H,4-5,8-11,20H2,1-3H3,(H,22,23,24).
What are the key properties of 3,5-diethyl-2-methyl-1-N-(2-piperazin-1-ylpyrimidin-4-yl)benzene-1,4-diamine?
3,5-diethyl-2-methyl-1-N-(2-piperazin-1-ylpyrimidin-4-yl)benzene-1,4-diamine has a molecular weight of 340.48 g/mol, XLogP of 2.65, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diethyl-2-methyl-1-N-(2-piperazin-1-ylpyrimidin-4-yl)benzene-1,4-diamine is sourced from PubChem (CID 87466229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).