Cyclododecapyrimidine, 5,6,7,8,9,10,11,12,13,14-decahydro-

C14H22N2 — CID 78154

IUPAC5,6,7,8,9,10,11,12,13,14-decahydrocyclododeca[d]pyrimidine
SMILESC1CCCCCC2=NC=NC=C2CCCC1
InChIInChI=1S/C14H22N2/c1-2-4-6-8-10-14-13(9-7-5-3-1)11-15-12-16-14/h11-12H,1-10H2
InChIKeyCXLMQNDFKHWBOQ-UHFFFAOYSA-N
MW218.34 g/mol
LogP4.70
Rot. Bonds

About Cyclododecapyrimidine, 5,6,7,8,9,10,11,12,13,14-decahydro-

Cyclododecapyrimidine, 5,6,7,8,9,10,11,12,13,14-decahydro- (PubChem CID 78154) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 5,6,7,8,9,10,11,12,13,14-decahydrocyclododeca[d]pyrimidine.

Molecular Properties

Compound NameCyclododecapyrimidine, 5,6,7,8,9,10,11,12,13,14-decahydro-
PubChem CID78154
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name5,6,7,8,9,10,11,12,13,14-decahydrocyclododeca[d]pyrimidine
SMILESC1CCCCCC2=NC=NC=C2CCCC1
InChIInChI=1S/C14H22N2/c1-2-4-6-8-10-14-13(9-7-5-3-1)11-15-12-16-14/h11-12H,1-10H2
InChIKeyCXLMQNDFKHWBOQ-UHFFFAOYSA-N
XLogP4.70
TPSA25.80 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity182

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of Cyclododecapyrimidine, 5,6,7,8,9,10,11,12,13,14-decahydro-?
The IUPAC name of Cyclododecapyrimidine, 5,6,7,8,9,10,11,12,13,14-decahydro- (CID 78154) is 5,6,7,8,9,10,11,12,13,14-decahydrocyclododeca[d]pyrimidine.
What is the SMILES notation for Cyclododecapyrimidine, 5,6,7,8,9,10,11,12,13,14-decahydro-?
The canonical SMILES for Cyclododecapyrimidine, 5,6,7,8,9,10,11,12,13,14-decahydro- is C1CCCCCC2=NC=NC=C2CCCC1.
What is the InChIKey of Cyclododecapyrimidine, 5,6,7,8,9,10,11,12,13,14-decahydro-?
The InChIKey is CXLMQNDFKHWBOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-2-4-6-8-10-14-13(9-7-5-3-1)11-15-12-16-14/h11-12H,1-10H2.
What are the key properties of Cyclododecapyrimidine, 5,6,7,8,9,10,11,12,13,14-decahydro-?
Cyclododecapyrimidine, 5,6,7,8,9,10,11,12,13,14-decahydro- has a molecular weight of 218.34 g/mol, XLogP of 4.70, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for Cyclododecapyrimidine, 5,6,7,8,9,10,11,12,13,14-decahydro- is sourced from PubChem (CID 78154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).