tert-butyl 2,6-dihydropyrimido[1,6-a]pyrimidine-1-carboxylate

C12H17N3O2 — CID 141290835

IUPACtert-butyl 2,6-dihydropyrimido[1,6-a]pyrimidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC=CN2CN=CC=C21
InChIInChI=1S/C12H17N3O2/c1-12(2,3)17-11(16)15-8-4-7-14-9-13-6-5-10(14)15/h4-7H,8-9H2,1-3H3
InChIKeyORNJNALZISPKRC-UHFFFAOYSA-N
MW235.29 g/mol
LogP1.94
Rot. Bonds

About tert-butyl 2,6-dihydropyrimido[1,6-a]pyrimidine-1-carboxylate

tert-butyl 2,6-dihydropyrimido[1,6-a]pyrimidine-1-carboxylate (PubChem CID 141290835) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is tert-butyl 2,6-dihydropyrimido[1,6-a]pyrimidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2,6-dihydropyrimido[1,6-a]pyrimidine-1-carboxylate
PubChem CID141290835
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Nametert-butyl 2,6-dihydropyrimido[1,6-a]pyrimidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC=CN2CN=CC=C21
InChIInChI=1S/C12H17N3O2/c1-12(2,3)17-11(16)15-8-4-7-14-9-13-6-5-10(14)15/h4-7H,8-9H2,1-3H3
InChIKeyORNJNALZISPKRC-UHFFFAOYSA-N
XLogP1.94
TPSA45.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2,6-dihydropyrimido[1,6-a]pyrimidine-1-carboxylate?
The IUPAC name of tert-butyl 2,6-dihydropyrimido[1,6-a]pyrimidine-1-carboxylate (CID 141290835) is tert-butyl 2,6-dihydropyrimido[1,6-a]pyrimidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2,6-dihydropyrimido[1,6-a]pyrimidine-1-carboxylate?
The canonical SMILES for tert-butyl 2,6-dihydropyrimido[1,6-a]pyrimidine-1-carboxylate is CC(C)(C)OC(=O)N1CC=CN2CN=CC=C21.
What is the InChIKey of tert-butyl 2,6-dihydropyrimido[1,6-a]pyrimidine-1-carboxylate?
The InChIKey is ORNJNALZISPKRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-12(2,3)17-11(16)15-8-4-7-14-9-13-6-5-10(14)15/h4-7H,8-9H2,1-3H3.
What are the key properties of tert-butyl 2,6-dihydropyrimido[1,6-a]pyrimidine-1-carboxylate?
tert-butyl 2,6-dihydropyrimido[1,6-a]pyrimidine-1-carboxylate has a molecular weight of 235.29 g/mol, XLogP of 1.94, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2,6-dihydropyrimido[1,6-a]pyrimidine-1-carboxylate is sourced from PubChem (CID 141290835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).