3-cyclohexyl-6-[4-(furan-2-carbonyl)piperazin-1-yl]-1H-pyrimidine-2,4-dione

C19H24N4O4 — CID 3237172

IUPAC3-cyclohexyl-6-[4-(furan-2-carbonyl)piperazin-1-yl]-1H-pyrimidine-2,4-dione
SMILESO=C(c1ccco1)N1CCN(c2cc(=O)n(C3CCCCC3)c(=O)[nH]2)CC1
InChIInChI=1S/C19H24N4O4/c24-17-13-16(20-19(26)23(17)14-5-2-1-3-6-14)21-8-10-22(11-9-21)18(25)15-7-4-12-27-15/h4,7,12-14H,1-3,5-6,8-11H2,(H,20,26)
InChIKeyPMGMHDGOKGOPIA-UHFFFAOYSA-N
MW372.43 g/mol
LogP1.60
Rot. Bonds3

About 3-cyclohexyl-6-[4-(furan-2-carbonyl)piperazin-1-yl]-1H-pyrimidine-2,4-dione

3-cyclohexyl-6-[4-(furan-2-carbonyl)piperazin-1-yl]-1H-pyrimidine-2,4-dione (PubChem CID 3237172) has the molecular formula C19H24N4O4 and a molecular weight of 372.43 g/mol. Its IUPAC name is 3-cyclohexyl-6-[4-(furan-2-carbonyl)piperazin-1-yl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-cyclohexyl-6-[4-(furan-2-carbonyl)piperazin-1-yl]-1H-pyrimidine-2,4-dione
PubChem CID3237172
Molecular FormulaC19H24N4O4
Molecular Weight372.43 g/mol
Exact Mass372.18
IUPAC Name3-cyclohexyl-6-[4-(furan-2-carbonyl)piperazin-1-yl]-1H-pyrimidine-2,4-dione
SMILESO=C(c1ccco1)N1CCN(c2cc(=O)n(C3CCCCC3)c(=O)[nH]2)CC1
InChIInChI=1S/C19H24N4O4/c24-17-13-16(20-19(26)23(17)14-5-2-1-3-6-14)21-8-10-22(11-9-21)18(25)15-7-4-12-27-15/h4,7,12-14H,1-3,5-6,8-11H2,(H,20,26)
InChIKeyPMGMHDGOKGOPIA-UHFFFAOYSA-N
XLogP1.60
TPSA91.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-6-[4-(furan-2-carbonyl)piperazin-1-yl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 3-cyclohexyl-6-[4-(furan-2-carbonyl)piperazin-1-yl]-1H-pyrimidine-2,4-dione (CID 3237172) is 3-cyclohexyl-6-[4-(furan-2-carbonyl)piperazin-1-yl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 3-cyclohexyl-6-[4-(furan-2-carbonyl)piperazin-1-yl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 3-cyclohexyl-6-[4-(furan-2-carbonyl)piperazin-1-yl]-1H-pyrimidine-2,4-dione is O=C(c1ccco1)N1CCN(c2cc(=O)n(C3CCCCC3)c(=O)[nH]2)CC1.
What is the InChIKey of 3-cyclohexyl-6-[4-(furan-2-carbonyl)piperazin-1-yl]-1H-pyrimidine-2,4-dione?
The InChIKey is PMGMHDGOKGOPIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O4/c24-17-13-16(20-19(26)23(17)14-5-2-1-3-6-14)21-8-10-22(11-9-21)18(25)15-7-4-12-27-15/h4,7,12-14H,1-3,5-6,8-11H2,(H,20,26).
What are the key properties of 3-cyclohexyl-6-[4-(furan-2-carbonyl)piperazin-1-yl]-1H-pyrimidine-2,4-dione?
3-cyclohexyl-6-[4-(furan-2-carbonyl)piperazin-1-yl]-1H-pyrimidine-2,4-dione has a molecular weight of 372.43 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-6-[4-(furan-2-carbonyl)piperazin-1-yl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 3237172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).