6-[4-(2-amino-1-cyclohexylethyl)piperazin-1-yl]-5-ethylpyrimidin-4-amine

C18H32N6 — CID 89445519

IUPAC6-[4-(2-amino-1-cyclohexylethyl)piperazin-1-yl]-5-ethylpyrimidin-4-amine
SMILESCCc1c(N)ncnc1N1CCN(C(CN)C2CCCCC2)CC1
InChIInChI=1S/C18H32N6/c1-2-15-17(20)21-13-22-18(15)24-10-8-23(9-11-24)16(12-19)14-6-4-3-5-7-14/h13-14,16H,2-12,19H2,1H3,(H2,20,21,22)
InChIKeyXODZVALGKSETDI-UHFFFAOYSA-N
MW332.50 g/mol
LogP1.65
Rot. Bonds5

About 6-[4-(2-amino-1-cyclohexylethyl)piperazin-1-yl]-5-ethylpyrimidin-4-amine

6-[4-(2-amino-1-cyclohexylethyl)piperazin-1-yl]-5-ethylpyrimidin-4-amine (PubChem CID 89445519) has the molecular formula C18H32N6 and a molecular weight of 332.50 g/mol. Its IUPAC name is 6-[4-(2-amino-1-cyclohexylethyl)piperazin-1-yl]-5-ethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-[4-(2-amino-1-cyclohexylethyl)piperazin-1-yl]-5-ethylpyrimidin-4-amine
PubChem CID89445519
Molecular FormulaC18H32N6
Molecular Weight332.50 g/mol
Exact Mass332.27
IUPAC Name6-[4-(2-amino-1-cyclohexylethyl)piperazin-1-yl]-5-ethylpyrimidin-4-amine
SMILESCCc1c(N)ncnc1N1CCN(C(CN)C2CCCCC2)CC1
InChIInChI=1S/C18H32N6/c1-2-15-17(20)21-13-22-18(15)24-10-8-23(9-11-24)16(12-19)14-6-4-3-5-7-14/h13-14,16H,2-12,19H2,1H3,(H2,20,21,22)
InChIKeyXODZVALGKSETDI-UHFFFAOYSA-N
XLogP1.65
TPSA84.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.50
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(2-amino-1-cyclohexylethyl)piperazin-1-yl]-5-ethylpyrimidin-4-amine?
The IUPAC name of 6-[4-(2-amino-1-cyclohexylethyl)piperazin-1-yl]-5-ethylpyrimidin-4-amine (CID 89445519) is 6-[4-(2-amino-1-cyclohexylethyl)piperazin-1-yl]-5-ethylpyrimidin-4-amine.
What is the SMILES notation for 6-[4-(2-amino-1-cyclohexylethyl)piperazin-1-yl]-5-ethylpyrimidin-4-amine?
The canonical SMILES for 6-[4-(2-amino-1-cyclohexylethyl)piperazin-1-yl]-5-ethylpyrimidin-4-amine is CCc1c(N)ncnc1N1CCN(C(CN)C2CCCCC2)CC1.
What is the InChIKey of 6-[4-(2-amino-1-cyclohexylethyl)piperazin-1-yl]-5-ethylpyrimidin-4-amine?
The InChIKey is XODZVALGKSETDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N6/c1-2-15-17(20)21-13-22-18(15)24-10-8-23(9-11-24)16(12-19)14-6-4-3-5-7-14/h13-14,16H,2-12,19H2,1H3,(H2,20,21,22).
What are the key properties of 6-[4-(2-amino-1-cyclohexylethyl)piperazin-1-yl]-5-ethylpyrimidin-4-amine?
6-[4-(2-amino-1-cyclohexylethyl)piperazin-1-yl]-5-ethylpyrimidin-4-amine has a molecular weight of 332.50 g/mol, XLogP of 1.65, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2-amino-1-cyclohexylethyl)piperazin-1-yl]-5-ethylpyrimidin-4-amine is sourced from PubChem (CID 89445519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).