7-(dimethylamino)-3-fluoro-9H-pyrimido[1,2-a]pyrimidine-2,8-dione

C9H9FN4O2 — CID 123267416

IUPAC7-(dimethylamino)-3-fluoro-9H-pyrimido[1,2-a]pyrimidine-2,8-dione
SMILESCN(C)c1cn2cc(F)c(=O)nc2[nH]c1=O
InChIInChI=1S/C9H9FN4O2/c1-13(2)6-4-14-3-5(10)7(15)11-9(14)12-8(6)16/h3-4H,1-2H3,(H,11,12,15,16)
InChIKeyVNXVPVNLVGHCQN-UHFFFAOYSA-N
MW224.19 g/mol
LogP-0.41
Rot. Bonds1

About 7-(dimethylamino)-3-fluoro-9H-pyrimido[1,2-a]pyrimidine-2,8-dione

7-(dimethylamino)-3-fluoro-9H-pyrimido[1,2-a]pyrimidine-2,8-dione (PubChem CID 123267416) has the molecular formula C9H9FN4O2 and a molecular weight of 224.19 g/mol. Its IUPAC name is 7-(dimethylamino)-3-fluoro-9H-pyrimido[1,2-a]pyrimidine-2,8-dione.

Molecular Properties

Compound Name7-(dimethylamino)-3-fluoro-9H-pyrimido[1,2-a]pyrimidine-2,8-dione
PubChem CID123267416
Molecular FormulaC9H9FN4O2
Molecular Weight224.19 g/mol
Exact Mass224.07
IUPAC Name7-(dimethylamino)-3-fluoro-9H-pyrimido[1,2-a]pyrimidine-2,8-dione
SMILESCN(C)c1cn2cc(F)c(=O)nc2[nH]c1=O
InChIInChI=1S/C9H9FN4O2/c1-13(2)6-4-14-3-5(10)7(15)11-9(14)12-8(6)16/h3-4H,1-2H3,(H,11,12,15,16)
InChIKeyVNXVPVNLVGHCQN-UHFFFAOYSA-N
XLogP-0.41
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.19
LogP ≤ 5-0.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(dimethylamino)-3-fluoro-9H-pyrimido[1,2-a]pyrimidine-2,8-dione?
The IUPAC name of 7-(dimethylamino)-3-fluoro-9H-pyrimido[1,2-a]pyrimidine-2,8-dione (CID 123267416) is 7-(dimethylamino)-3-fluoro-9H-pyrimido[1,2-a]pyrimidine-2,8-dione.
What is the SMILES notation for 7-(dimethylamino)-3-fluoro-9H-pyrimido[1,2-a]pyrimidine-2,8-dione?
The canonical SMILES for 7-(dimethylamino)-3-fluoro-9H-pyrimido[1,2-a]pyrimidine-2,8-dione is CN(C)c1cn2cc(F)c(=O)nc2[nH]c1=O.
What is the InChIKey of 7-(dimethylamino)-3-fluoro-9H-pyrimido[1,2-a]pyrimidine-2,8-dione?
The InChIKey is VNXVPVNLVGHCQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FN4O2/c1-13(2)6-4-14-3-5(10)7(15)11-9(14)12-8(6)16/h3-4H,1-2H3,(H,11,12,15,16).
What are the key properties of 7-(dimethylamino)-3-fluoro-9H-pyrimido[1,2-a]pyrimidine-2,8-dione?
7-(dimethylamino)-3-fluoro-9H-pyrimido[1,2-a]pyrimidine-2,8-dione has a molecular weight of 224.19 g/mol, XLogP of -0.41, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(dimethylamino)-3-fluoro-9H-pyrimido[1,2-a]pyrimidine-2,8-dione is sourced from PubChem (CID 123267416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).