cyclohexyl-[4-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone

C20H31N5O — CID 53047578

IUPACcyclohexyl-[4-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
SMILESCc1cc(N2CCN(C(=O)C3CCCCC3)CC2)nc(N2CCCC2)n1
InChIInChI=1S/C20H31N5O/c1-16-15-18(22-20(21-16)25-9-5-6-10-25)23-11-13-24(14-12-23)19(26)17-7-3-2-4-8-17/h15,17H,2-14H2,1H3
InChIKeyLZLIVRIAJKIOLI-UHFFFAOYSA-N
MW357.50 g/mol
LogP2.61
Rot. Bonds3

About cyclohexyl-[4-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone

cyclohexyl-[4-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone (PubChem CID 53047578) has the molecular formula C20H31N5O and a molecular weight of 357.50 g/mol. Its IUPAC name is cyclohexyl-[4-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclohexyl-[4-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
PubChem CID53047578
Molecular FormulaC20H31N5O
Molecular Weight357.50 g/mol
Exact Mass357.25
IUPAC Namecyclohexyl-[4-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
SMILESCc1cc(N2CCN(C(=O)C3CCCCC3)CC2)nc(N2CCCC2)n1
InChIInChI=1S/C20H31N5O/c1-16-15-18(22-20(21-16)25-9-5-6-10-25)23-11-13-24(14-12-23)19(26)17-7-3-2-4-8-17/h15,17H,2-14H2,1H3
InChIKeyLZLIVRIAJKIOLI-UHFFFAOYSA-N
XLogP2.61
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[4-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone?
The IUPAC name of cyclohexyl-[4-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone (CID 53047578) is cyclohexyl-[4-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone.
What is the SMILES notation for cyclohexyl-[4-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone?
The canonical SMILES for cyclohexyl-[4-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone is Cc1cc(N2CCN(C(=O)C3CCCCC3)CC2)nc(N2CCCC2)n1.
What is the InChIKey of cyclohexyl-[4-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone?
The InChIKey is LZLIVRIAJKIOLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N5O/c1-16-15-18(22-20(21-16)25-9-5-6-10-25)23-11-13-24(14-12-23)19(26)17-7-3-2-4-8-17/h15,17H,2-14H2,1H3.
What are the key properties of cyclohexyl-[4-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone?
cyclohexyl-[4-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone has a molecular weight of 357.50 g/mol, XLogP of 2.61, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[4-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 53047578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).