1-[4-[4-(cyclohexylmethyl)piperazin-1-yl]butyl]-5-methylpyrimidine-2,4-dione

C20H34N4O2 — CID 66737088

IUPAC1-[4-[4-(cyclohexylmethyl)piperazin-1-yl]butyl]-5-methylpyrimidine-2,4-dione
SMILESCc1cn(CCCCN2CCN(CC3CCCCC3)CC2)c(=O)[nH]c1=O
InChIInChI=1S/C20H34N4O2/c1-17-15-24(20(26)21-19(17)25)10-6-5-9-22-11-13-23(14-12-22)16-18-7-3-2-4-8-18/h15,18H,2-14,16H2,1H3,(H,21,25,26)
InChIKeyHSAKYUNJISQHQP-UHFFFAOYSA-N
MW362.52 g/mol
LogP1.82
Rot. Bonds7

About 1-[4-[4-(cyclohexylmethyl)piperazin-1-yl]butyl]-5-methylpyrimidine-2,4-dione

1-[4-[4-(cyclohexylmethyl)piperazin-1-yl]butyl]-5-methylpyrimidine-2,4-dione (PubChem CID 66737088) has the molecular formula C20H34N4O2 and a molecular weight of 362.52 g/mol. Its IUPAC name is 1-[4-[4-(cyclohexylmethyl)piperazin-1-yl]butyl]-5-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[4-[4-(cyclohexylmethyl)piperazin-1-yl]butyl]-5-methylpyrimidine-2,4-dione
PubChem CID66737088
Molecular FormulaC20H34N4O2
Molecular Weight362.52 g/mol
Exact Mass362.27
IUPAC Name1-[4-[4-(cyclohexylmethyl)piperazin-1-yl]butyl]-5-methylpyrimidine-2,4-dione
SMILESCc1cn(CCCCN2CCN(CC3CCCCC3)CC2)c(=O)[nH]c1=O
InChIInChI=1S/C20H34N4O2/c1-17-15-24(20(26)21-19(17)25)10-6-5-9-22-11-13-23(14-12-22)16-18-7-3-2-4-8-18/h15,18H,2-14,16H2,1H3,(H,21,25,26)
InChIKeyHSAKYUNJISQHQP-UHFFFAOYSA-N
XLogP1.82
TPSA61.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.52
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(cyclohexylmethyl)piperazin-1-yl]butyl]-5-methylpyrimidine-2,4-dione?
The IUPAC name of 1-[4-[4-(cyclohexylmethyl)piperazin-1-yl]butyl]-5-methylpyrimidine-2,4-dione (CID 66737088) is 1-[4-[4-(cyclohexylmethyl)piperazin-1-yl]butyl]-5-methylpyrimidine-2,4-dione.
What is the SMILES notation for 1-[4-[4-(cyclohexylmethyl)piperazin-1-yl]butyl]-5-methylpyrimidine-2,4-dione?
The canonical SMILES for 1-[4-[4-(cyclohexylmethyl)piperazin-1-yl]butyl]-5-methylpyrimidine-2,4-dione is Cc1cn(CCCCN2CCN(CC3CCCCC3)CC2)c(=O)[nH]c1=O.
What is the InChIKey of 1-[4-[4-(cyclohexylmethyl)piperazin-1-yl]butyl]-5-methylpyrimidine-2,4-dione?
The InChIKey is HSAKYUNJISQHQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N4O2/c1-17-15-24(20(26)21-19(17)25)10-6-5-9-22-11-13-23(14-12-22)16-18-7-3-2-4-8-18/h15,18H,2-14,16H2,1H3,(H,21,25,26).
What are the key properties of 1-[4-[4-(cyclohexylmethyl)piperazin-1-yl]butyl]-5-methylpyrimidine-2,4-dione?
1-[4-[4-(cyclohexylmethyl)piperazin-1-yl]butyl]-5-methylpyrimidine-2,4-dione has a molecular weight of 362.52 g/mol, XLogP of 1.82, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(cyclohexylmethyl)piperazin-1-yl]butyl]-5-methylpyrimidine-2,4-dione is sourced from PubChem (CID 66737088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).