cyclohexyl-[4-[4-(ethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]methanone

C18H29N5O — CID 70703148

IUPACcyclohexyl-[4-[4-(ethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]methanone
SMILESCCNc1cc(C)nc(N2CCN(C(=O)C3CCCCC3)CC2)n1
InChIInChI=1S/C18H29N5O/c1-3-19-16-13-14(2)20-18(21-16)23-11-9-22(10-12-23)17(24)15-7-5-4-6-8-15/h13,15H,3-12H2,1-2H3,(H,19,20,21)
InChIKeyWILUCJYLXXFLFN-UHFFFAOYSA-N
MW331.46 g/mol
LogP2.45
Rot. Bonds4

About cyclohexyl-[4-[4-(ethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]methanone

cyclohexyl-[4-[4-(ethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]methanone (PubChem CID 70703148) has the molecular formula C18H29N5O and a molecular weight of 331.46 g/mol. Its IUPAC name is cyclohexyl-[4-[4-(ethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclohexyl-[4-[4-(ethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]methanone
PubChem CID70703148
Molecular FormulaC18H29N5O
Molecular Weight331.46 g/mol
Exact Mass331.24
IUPAC Namecyclohexyl-[4-[4-(ethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]methanone
SMILESCCNc1cc(C)nc(N2CCN(C(=O)C3CCCCC3)CC2)n1
InChIInChI=1S/C18H29N5O/c1-3-19-16-13-14(2)20-18(21-16)23-11-9-22(10-12-23)17(24)15-7-5-4-6-8-15/h13,15H,3-12H2,1-2H3,(H,19,20,21)
InChIKeyWILUCJYLXXFLFN-UHFFFAOYSA-N
XLogP2.45
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[4-[4-(ethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]methanone?
The IUPAC name of cyclohexyl-[4-[4-(ethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]methanone (CID 70703148) is cyclohexyl-[4-[4-(ethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]methanone.
What is the SMILES notation for cyclohexyl-[4-[4-(ethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]methanone?
The canonical SMILES for cyclohexyl-[4-[4-(ethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]methanone is CCNc1cc(C)nc(N2CCN(C(=O)C3CCCCC3)CC2)n1.
What is the InChIKey of cyclohexyl-[4-[4-(ethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]methanone?
The InChIKey is WILUCJYLXXFLFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O/c1-3-19-16-13-14(2)20-18(21-16)23-11-9-22(10-12-23)17(24)15-7-5-4-6-8-15/h13,15H,3-12H2,1-2H3,(H,19,20,21).
What are the key properties of cyclohexyl-[4-[4-(ethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]methanone?
cyclohexyl-[4-[4-(ethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]methanone has a molecular weight of 331.46 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[4-[4-(ethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 70703148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).