4-N-[2-(cyclohexen-1-yl)ethyl]-6-(4-ethylpiperazin-1-yl)pyrimidine-4,5-diamine

C18H30N6 — CID 19138370

IUPAC4-N-[2-(cyclohexen-1-yl)ethyl]-6-(4-ethylpiperazin-1-yl)pyrimidine-4,5-diamine
SMILESCCN1CCN(c2ncnc(NCCC3=CCCCC3)c2N)CC1
InChIInChI=1S/C18H30N6/c1-2-23-10-12-24(13-11-23)18-16(19)17(21-14-22-18)20-9-8-15-6-4-3-5-7-15/h6,14H,2-5,7-13,19H2,1H3,(H,20,21,22)
InChIKeyPHZOIOLZFOBFRB-UHFFFAOYSA-N
MW330.48 g/mol
LogP2.50
Rot. Bonds6

About 4-N-[2-(cyclohexen-1-yl)ethyl]-6-(4-ethylpiperazin-1-yl)pyrimidine-4,5-diamine

4-N-[2-(cyclohexen-1-yl)ethyl]-6-(4-ethylpiperazin-1-yl)pyrimidine-4,5-diamine (PubChem CID 19138370) has the molecular formula C18H30N6 and a molecular weight of 330.48 g/mol. Its IUPAC name is 4-N-[2-(cyclohexen-1-yl)ethyl]-6-(4-ethylpiperazin-1-yl)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N-[2-(cyclohexen-1-yl)ethyl]-6-(4-ethylpiperazin-1-yl)pyrimidine-4,5-diamine
PubChem CID19138370
Molecular FormulaC18H30N6
Molecular Weight330.48 g/mol
Exact Mass330.25
IUPAC Name4-N-[2-(cyclohexen-1-yl)ethyl]-6-(4-ethylpiperazin-1-yl)pyrimidine-4,5-diamine
SMILESCCN1CCN(c2ncnc(NCCC3=CCCCC3)c2N)CC1
InChIInChI=1S/C18H30N6/c1-2-23-10-12-24(13-11-23)18-16(19)17(21-14-22-18)20-9-8-15-6-4-3-5-7-15/h6,14H,2-5,7-13,19H2,1H3,(H,20,21,22)
InChIKeyPHZOIOLZFOBFRB-UHFFFAOYSA-N
XLogP2.50
TPSA70.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.48
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-N-[2-(cyclohexen-1-yl)ethyl]-6-morpholin-4-ylpyrimidine-4,5-diamine
CID 19137648
4-N-[2-(cyclohexen-1-yl)ethyl]-6-(4-phenylpiperazin-1-yl)pyrimidine-4,5-diamine
CID 19138548
4-N-[2-(cyclohexen-1-yl)ethyl]-6-(2-ethylpiperidin-1-yl)pyrimidine-4,5-diamine
CID 19140440
4-N-[2-(cyclohexen-1-yl)ethyl]pyrimidine-4,5,6-triamine
CID 19137103
4-(4-ethylpiperazin-1-yl)-6-hydrazinylpyrimidin-5-amine
CID 19138427
N-[2-(cyclohexen-1-yl)ethyl]-6-(4-methylpiperazin-1-yl)-5-nitropyrimidin-4-amine
CID 3703125
N-[2-(cyclohexen-1-yl)ethyl]-4-(4-ethylpiperazin-1-yl)pyrimidin-2-amine
CID 112885536
6-(benzotriazol-1-yl)-4-N-[2-(cyclohexen-1-yl)ethyl]pyrimidine-4,5-diamine
CID 19143714
4-N-(3,5-dimethylphenyl)-6-(4-ethylpiperazin-1-yl)pyrimidine-4,5-diamine
CID 22540923
N-[2-(cyclohexen-1-yl)ethyl]-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-5-nitropyrimidin-4-amine
CID 22525973
6-(4-methylpiperazin-1-yl)-4-N-(2-morpholin-4-ylethyl)pyrimidine-4,5-diamine
CID 19138308
4-N-[2-(cyclohexen-1-yl)ethyl]-6-quinolin-8-yloxypyrimidine-4,5-diamine
CID 19141740

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(cyclohexen-1-yl)ethyl]-6-(4-ethylpiperazin-1-yl)pyrimidine-4,5-diamine?
The IUPAC name of 4-N-[2-(cyclohexen-1-yl)ethyl]-6-(4-ethylpiperazin-1-yl)pyrimidine-4,5-diamine (CID 19138370) is 4-N-[2-(cyclohexen-1-yl)ethyl]-6-(4-ethylpiperazin-1-yl)pyrimidine-4,5-diamine.
What is the SMILES notation for 4-N-[2-(cyclohexen-1-yl)ethyl]-6-(4-ethylpiperazin-1-yl)pyrimidine-4,5-diamine?
The canonical SMILES for 4-N-[2-(cyclohexen-1-yl)ethyl]-6-(4-ethylpiperazin-1-yl)pyrimidine-4,5-diamine is CCN1CCN(c2ncnc(NCCC3=CCCCC3)c2N)CC1.
What is the InChIKey of 4-N-[2-(cyclohexen-1-yl)ethyl]-6-(4-ethylpiperazin-1-yl)pyrimidine-4,5-diamine?
The InChIKey is PHZOIOLZFOBFRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N6/c1-2-23-10-12-24(13-11-23)18-16(19)17(21-14-22-18)20-9-8-15-6-4-3-5-7-15/h6,14H,2-5,7-13,19H2,1H3,(H,20,21,22).
What are the key properties of 4-N-[2-(cyclohexen-1-yl)ethyl]-6-(4-ethylpiperazin-1-yl)pyrimidine-4,5-diamine?
4-N-[2-(cyclohexen-1-yl)ethyl]-6-(4-ethylpiperazin-1-yl)pyrimidine-4,5-diamine has a molecular weight of 330.48 g/mol, XLogP of 2.50, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(cyclohexen-1-yl)ethyl]-6-(4-ethylpiperazin-1-yl)pyrimidine-4,5-diamine is sourced from PubChem (CID 19138370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).