3-cyclohexyl-6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1H-pyrimidine-2,4-dione

C18H21N3O4 — CID 3239923

IUPAC3-cyclohexyl-6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1H-pyrimidine-2,4-dione
SMILESO=c1cc(Nc2ccc3c(c2)OCCO3)[nH]c(=O)n1C1CCCCC1
InChIInChI=1S/C18H21N3O4/c22-17-11-16(20-18(23)21(17)13-4-2-1-3-5-13)19-12-6-7-14-15(10-12)25-9-8-24-14/h6-7,10-11,13,19H,1-5,8-9H2,(H,20,23)
InChIKeyCRWCXXMAVSCOEM-UHFFFAOYSA-N
MW343.38 g/mol
LogP2.56
Rot. Bonds3

About 3-cyclohexyl-6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1H-pyrimidine-2,4-dione

3-cyclohexyl-6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1H-pyrimidine-2,4-dione (PubChem CID 3239923) has the molecular formula C18H21N3O4 and a molecular weight of 343.38 g/mol. Its IUPAC name is 3-cyclohexyl-6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-cyclohexyl-6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1H-pyrimidine-2,4-dione
PubChem CID3239923
Molecular FormulaC18H21N3O4
Molecular Weight343.38 g/mol
Exact Mass343.15
IUPAC Name3-cyclohexyl-6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1H-pyrimidine-2,4-dione
SMILESO=c1cc(Nc2ccc3c(c2)OCCO3)[nH]c(=O)n1C1CCCCC1
InChIInChI=1S/C18H21N3O4/c22-17-11-16(20-18(23)21(17)13-4-2-1-3-5-13)19-12-6-7-14-15(10-12)25-9-8-24-14/h6-7,10-11,13,19H,1-5,8-9H2,(H,20,23)
InChIKeyCRWCXXMAVSCOEM-UHFFFAOYSA-N
XLogP2.56
TPSA85.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1H-pyrimidine-2,4-dione?
The IUPAC name of 3-cyclohexyl-6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1H-pyrimidine-2,4-dione (CID 3239923) is 3-cyclohexyl-6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 3-cyclohexyl-6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 3-cyclohexyl-6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1H-pyrimidine-2,4-dione is O=c1cc(Nc2ccc3c(c2)OCCO3)[nH]c(=O)n1C1CCCCC1.
What is the InChIKey of 3-cyclohexyl-6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1H-pyrimidine-2,4-dione?
The InChIKey is CRWCXXMAVSCOEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4/c22-17-11-16(20-18(23)21(17)13-4-2-1-3-5-13)19-12-6-7-14-15(10-12)25-9-8-24-14/h6-7,10-11,13,19H,1-5,8-9H2,(H,20,23).
What are the key properties of 3-cyclohexyl-6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1H-pyrimidine-2,4-dione?
3-cyclohexyl-6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1H-pyrimidine-2,4-dione has a molecular weight of 343.38 g/mol, XLogP of 2.56, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 3239923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).