7-tert-butyl-4-methylpyrimido[1,2-c]pyrimidine-2,6-dione

C12H15N3O2 — CID 153432371

IUPAC7-tert-butyl-4-methylpyrimido[1,2-c]pyrimidine-2,6-dione
SMILESCc1cc(=O)nc2ccn(C(C)(C)C)c(=O)n12
InChIInChI=1S/C12H15N3O2/c1-8-7-10(16)13-9-5-6-14(12(2,3)4)11(17)15(8)9/h5-7H,1-4H3
InChIKeyRUYABIPNIOKLMP-UHFFFAOYSA-N
MW233.27 g/mol
LogP0.92
Rot. Bonds

About 7-tert-butyl-4-methylpyrimido[1,2-c]pyrimidine-2,6-dione

7-tert-butyl-4-methylpyrimido[1,2-c]pyrimidine-2,6-dione (PubChem CID 153432371) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 7-tert-butyl-4-methylpyrimido[1,2-c]pyrimidine-2,6-dione.

Molecular Properties

Compound Name7-tert-butyl-4-methylpyrimido[1,2-c]pyrimidine-2,6-dione
PubChem CID153432371
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name7-tert-butyl-4-methylpyrimido[1,2-c]pyrimidine-2,6-dione
SMILESCc1cc(=O)nc2ccn(C(C)(C)C)c(=O)n12
InChIInChI=1S/C12H15N3O2/c1-8-7-10(16)13-9-5-6-14(12(2,3)4)11(17)15(8)9/h5-7H,1-4H3
InChIKeyRUYABIPNIOKLMP-UHFFFAOYSA-N
XLogP0.92
TPSA56.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-tert-butyl-4-methylpyrimido[1,2-c]pyrimidine-2,6-dione?
The IUPAC name of 7-tert-butyl-4-methylpyrimido[1,2-c]pyrimidine-2,6-dione (CID 153432371) is 7-tert-butyl-4-methylpyrimido[1,2-c]pyrimidine-2,6-dione.
What is the SMILES notation for 7-tert-butyl-4-methylpyrimido[1,2-c]pyrimidine-2,6-dione?
The canonical SMILES for 7-tert-butyl-4-methylpyrimido[1,2-c]pyrimidine-2,6-dione is Cc1cc(=O)nc2ccn(C(C)(C)C)c(=O)n12.
What is the InChIKey of 7-tert-butyl-4-methylpyrimido[1,2-c]pyrimidine-2,6-dione?
The InChIKey is RUYABIPNIOKLMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-8-7-10(16)13-9-5-6-14(12(2,3)4)11(17)15(8)9/h5-7H,1-4H3.
What are the key properties of 7-tert-butyl-4-methylpyrimido[1,2-c]pyrimidine-2,6-dione?
7-tert-butyl-4-methylpyrimido[1,2-c]pyrimidine-2,6-dione has a molecular weight of 233.27 g/mol, XLogP of 0.92, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-tert-butyl-4-methylpyrimido[1,2-c]pyrimidine-2,6-dione is sourced from PubChem (CID 153432371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).