1-butyl-8-methoxy-3,6-dimethylpyrimido[5,4-d]pyrimidine-2,4-dione

C13H18N4O3 — CID 58187287

IUPAC1-butyl-8-methoxy-3,6-dimethylpyrimido[5,4-d]pyrimidine-2,4-dione
SMILESCCCCn1c(=O)n(C)c(=O)c2nc(C)nc(OC)c21
InChIInChI=1S/C13H18N4O3/c1-5-6-7-17-10-9(12(18)16(3)13(17)19)14-8(2)15-11(10)20-4/h5-7H2,1-4H3
InChIKeyXWDXTFCHTKBYHP-UHFFFAOYSA-N
MW278.31 g/mol
LogP0.61
Rot. Bonds4

About 1-butyl-8-methoxy-3,6-dimethylpyrimido[5,4-d]pyrimidine-2,4-dione

1-butyl-8-methoxy-3,6-dimethylpyrimido[5,4-d]pyrimidine-2,4-dione (PubChem CID 58187287) has the molecular formula C13H18N4O3 and a molecular weight of 278.31 g/mol. Its IUPAC name is 1-butyl-8-methoxy-3,6-dimethylpyrimido[5,4-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-butyl-8-methoxy-3,6-dimethylpyrimido[5,4-d]pyrimidine-2,4-dione
PubChem CID58187287
Molecular FormulaC13H18N4O3
Molecular Weight278.31 g/mol
Exact Mass278.14
IUPAC Name1-butyl-8-methoxy-3,6-dimethylpyrimido[5,4-d]pyrimidine-2,4-dione
SMILESCCCCn1c(=O)n(C)c(=O)c2nc(C)nc(OC)c21
InChIInChI=1S/C13H18N4O3/c1-5-6-7-17-10-9(12(18)16(3)13(17)19)14-8(2)15-11(10)20-4/h5-7H2,1-4H3
InChIKeyXWDXTFCHTKBYHP-UHFFFAOYSA-N
XLogP0.61
TPSA79.01 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 50.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-8-methoxy-3,6-dimethylpyrimido[5,4-d]pyrimidine-2,4-dione?
The IUPAC name of 1-butyl-8-methoxy-3,6-dimethylpyrimido[5,4-d]pyrimidine-2,4-dione (CID 58187287) is 1-butyl-8-methoxy-3,6-dimethylpyrimido[5,4-d]pyrimidine-2,4-dione.
What is the SMILES notation for 1-butyl-8-methoxy-3,6-dimethylpyrimido[5,4-d]pyrimidine-2,4-dione?
The canonical SMILES for 1-butyl-8-methoxy-3,6-dimethylpyrimido[5,4-d]pyrimidine-2,4-dione is CCCCn1c(=O)n(C)c(=O)c2nc(C)nc(OC)c21.
What is the InChIKey of 1-butyl-8-methoxy-3,6-dimethylpyrimido[5,4-d]pyrimidine-2,4-dione?
The InChIKey is XWDXTFCHTKBYHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O3/c1-5-6-7-17-10-9(12(18)16(3)13(17)19)14-8(2)15-11(10)20-4/h5-7H2,1-4H3.
What are the key properties of 1-butyl-8-methoxy-3,6-dimethylpyrimido[5,4-d]pyrimidine-2,4-dione?
1-butyl-8-methoxy-3,6-dimethylpyrimido[5,4-d]pyrimidine-2,4-dione has a molecular weight of 278.31 g/mol, XLogP of 0.61, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-8-methoxy-3,6-dimethylpyrimido[5,4-d]pyrimidine-2,4-dione is sourced from PubChem (CID 58187287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).