3-cyclohexyl-6-(4-methylpiperazin-1-yl)-1H-pyrimidine-2,4-dione

C15H24N4O2 — CID 4141057

IUPAC3-cyclohexyl-6-(4-methylpiperazin-1-yl)-1H-pyrimidine-2,4-dione
SMILESCN1CCN(c2cc(=O)n(C3CCCCC3)c(=O)[nH]2)CC1
InChIInChI=1S/C15H24N4O2/c1-17-7-9-18(10-8-17)13-11-14(20)19(15(21)16-13)12-5-3-2-4-6-12/h11-12H,2-10H2,1H3,(H,16,21)
InChIKeyVCXQRSLROLVMPP-UHFFFAOYSA-N
MW292.38 g/mol
LogP0.79
Rot. Bonds2

About 3-cyclohexyl-6-(4-methylpiperazin-1-yl)-1H-pyrimidine-2,4-dione

3-cyclohexyl-6-(4-methylpiperazin-1-yl)-1H-pyrimidine-2,4-dione (PubChem CID 4141057) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 3-cyclohexyl-6-(4-methylpiperazin-1-yl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-cyclohexyl-6-(4-methylpiperazin-1-yl)-1H-pyrimidine-2,4-dione
PubChem CID4141057
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name3-cyclohexyl-6-(4-methylpiperazin-1-yl)-1H-pyrimidine-2,4-dione
SMILESCN1CCN(c2cc(=O)n(C3CCCCC3)c(=O)[nH]2)CC1
InChIInChI=1S/C15H24N4O2/c1-17-7-9-18(10-8-17)13-11-14(20)19(15(21)16-13)12-5-3-2-4-6-12/h11-12H,2-10H2,1H3,(H,16,21)
InChIKeyVCXQRSLROLVMPP-UHFFFAOYSA-N
XLogP0.79
TPSA61.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-6-(4-methylpiperazin-1-yl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 3-cyclohexyl-6-(4-methylpiperazin-1-yl)-1H-pyrimidine-2,4-dione (CID 4141057) is 3-cyclohexyl-6-(4-methylpiperazin-1-yl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 3-cyclohexyl-6-(4-methylpiperazin-1-yl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 3-cyclohexyl-6-(4-methylpiperazin-1-yl)-1H-pyrimidine-2,4-dione is CN1CCN(c2cc(=O)n(C3CCCCC3)c(=O)[nH]2)CC1.
What is the InChIKey of 3-cyclohexyl-6-(4-methylpiperazin-1-yl)-1H-pyrimidine-2,4-dione?
The InChIKey is VCXQRSLROLVMPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-17-7-9-18(10-8-17)13-11-14(20)19(15(21)16-13)12-5-3-2-4-6-12/h11-12H,2-10H2,1H3,(H,16,21).
What are the key properties of 3-cyclohexyl-6-(4-methylpiperazin-1-yl)-1H-pyrimidine-2,4-dione?
3-cyclohexyl-6-(4-methylpiperazin-1-yl)-1H-pyrimidine-2,4-dione has a molecular weight of 292.38 g/mol, XLogP of 0.79, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-6-(4-methylpiperazin-1-yl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 4141057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).