7-amino-1,3-diethylpyrimido[4,5-d]pyrimidine-2,4-dione

C10H13N5O2 — CID 14854883

IUPAC7-amino-1,3-diethylpyrimido[4,5-d]pyrimidine-2,4-dione
SMILESCCn1c(=O)c2cnc(N)nc2n(CC)c1=O
InChIInChI=1S/C10H13N5O2/c1-3-14-7-6(5-12-9(11)13-7)8(16)15(4-2)10(14)17/h5H,3-4H2,1-2H3,(H2,11,12,13)
InChIKeyWLONDEDQSDUJGB-UHFFFAOYSA-N
MW235.25 g/mol
LogP-0.42
Rot. Bonds2

About 7-amino-1,3-diethylpyrimido[4,5-d]pyrimidine-2,4-dione

7-amino-1,3-diethylpyrimido[4,5-d]pyrimidine-2,4-dione (PubChem CID 14854883) has the molecular formula C10H13N5O2 and a molecular weight of 235.25 g/mol. Its IUPAC name is 7-amino-1,3-diethylpyrimido[4,5-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name7-amino-1,3-diethylpyrimido[4,5-d]pyrimidine-2,4-dione
PubChem CID14854883
Molecular FormulaC10H13N5O2
Molecular Weight235.25 g/mol
Exact Mass235.11
IUPAC Name7-amino-1,3-diethylpyrimido[4,5-d]pyrimidine-2,4-dione
SMILESCCn1c(=O)c2cnc(N)nc2n(CC)c1=O
InChIInChI=1S/C10H13N5O2/c1-3-14-7-6(5-12-9(11)13-7)8(16)15(4-2)10(14)17/h5H,3-4H2,1-2H3,(H2,11,12,13)
InChIKeyWLONDEDQSDUJGB-UHFFFAOYSA-N
XLogP-0.42
TPSA95.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 5-0.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-amino-1,3-diethylpyrimido[4,5-d]pyrimidine-2,4-dione?
The IUPAC name of 7-amino-1,3-diethylpyrimido[4,5-d]pyrimidine-2,4-dione (CID 14854883) is 7-amino-1,3-diethylpyrimido[4,5-d]pyrimidine-2,4-dione.
What is the SMILES notation for 7-amino-1,3-diethylpyrimido[4,5-d]pyrimidine-2,4-dione?
The canonical SMILES for 7-amino-1,3-diethylpyrimido[4,5-d]pyrimidine-2,4-dione is CCn1c(=O)c2cnc(N)nc2n(CC)c1=O.
What is the InChIKey of 7-amino-1,3-diethylpyrimido[4,5-d]pyrimidine-2,4-dione?
The InChIKey is WLONDEDQSDUJGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O2/c1-3-14-7-6(5-12-9(11)13-7)8(16)15(4-2)10(14)17/h5H,3-4H2,1-2H3,(H2,11,12,13).
What are the key properties of 7-amino-1,3-diethylpyrimido[4,5-d]pyrimidine-2,4-dione?
7-amino-1,3-diethylpyrimido[4,5-d]pyrimidine-2,4-dione has a molecular weight of 235.25 g/mol, XLogP of -0.42, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-1,3-diethylpyrimido[4,5-d]pyrimidine-2,4-dione is sourced from PubChem (CID 14854883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).