5,6,7,8,9,10,11,12,13,14-decahydro-1H-cyclododeca[d]pyrimidine-2,4-dione

C14H22N2O2 — CID 535309

IUPAC5,6,7,8,9,10,11,12,13,14-decahydro-1H-cyclododeca[d]pyrimidine-2,4-dione
SMILESO=c1[nH]c2c(c(=O)[nH]1)CCCCCCCCCC2
InChIInChI=1S/C14H22N2O2/c17-13-11-9-7-5-3-1-2-4-6-8-10-12(11)15-14(18)16-13/h1-10H2,(H2,15,16,17,18)
InChIKeyYMSXITGCVFIWFC-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.28
Rot. Bonds

About 5,6,7,8,9,10,11,12,13,14-decahydro-1H-cyclododeca[d]pyrimidine-2,4-dione

5,6,7,8,9,10,11,12,13,14-decahydro-1H-cyclododeca[d]pyrimidine-2,4-dione (PubChem CID 535309) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 5,6,7,8,9,10,11,12,13,14-decahydro-1H-cyclododeca[d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5,6,7,8,9,10,11,12,13,14-decahydro-1H-cyclododeca[d]pyrimidine-2,4-dione
PubChem CID535309
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name5,6,7,8,9,10,11,12,13,14-decahydro-1H-cyclododeca[d]pyrimidine-2,4-dione
SMILESO=c1[nH]c2c(c(=O)[nH]1)CCCCCCCCCC2
InChIInChI=1S/C14H22N2O2/c17-13-11-9-7-5-3-1-2-4-6-8-10-12(11)15-14(18)16-13/h1-10H2,(H2,15,16,17,18)
InChIKeyYMSXITGCVFIWFC-UHFFFAOYSA-N
XLogP2.28
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,6,7,8,9,10,11,12,13,14-decahydro-1H-cyclododeca[d]pyrimidine-2,4-dione?
The IUPAC name of 5,6,7,8,9,10,11,12,13,14-decahydro-1H-cyclododeca[d]pyrimidine-2,4-dione (CID 535309) is 5,6,7,8,9,10,11,12,13,14-decahydro-1H-cyclododeca[d]pyrimidine-2,4-dione.
What is the SMILES notation for 5,6,7,8,9,10,11,12,13,14-decahydro-1H-cyclododeca[d]pyrimidine-2,4-dione?
The canonical SMILES for 5,6,7,8,9,10,11,12,13,14-decahydro-1H-cyclododeca[d]pyrimidine-2,4-dione is O=c1[nH]c2c(c(=O)[nH]1)CCCCCCCCCC2.
What is the InChIKey of 5,6,7,8,9,10,11,12,13,14-decahydro-1H-cyclododeca[d]pyrimidine-2,4-dione?
The InChIKey is YMSXITGCVFIWFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c17-13-11-9-7-5-3-1-2-4-6-8-10-12(11)15-14(18)16-13/h1-10H2,(H2,15,16,17,18).
What are the key properties of 5,6,7,8,9,10,11,12,13,14-decahydro-1H-cyclododeca[d]pyrimidine-2,4-dione?
5,6,7,8,9,10,11,12,13,14-decahydro-1H-cyclododeca[d]pyrimidine-2,4-dione has a molecular weight of 250.34 g/mol, XLogP of 2.28, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7,8,9,10,11,12,13,14-decahydro-1H-cyclododeca[d]pyrimidine-2,4-dione is sourced from PubChem (CID 535309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).