6-fluoro-7-methyl-3-propan-2-yl-9H-pyrimido[1,2-a]pyrimidine-2,8-dione

C11H12FN3O2 — CID 122543751

IUPAC6-fluoro-7-methyl-3-propan-2-yl-9H-pyrimido[1,2-a]pyrimidine-2,8-dione
SMILESCc1c(F)n2cc(C(C)C)c(=O)nc2[nH]c1=O
InChIInChI=1S/C11H12FN3O2/c1-5(2)7-4-15-8(12)6(3)9(16)13-11(15)14-10(7)17/h4-5H,1-3H3,(H,13,14,16,17)
InChIKeyWINNLTRVNQKEPL-UHFFFAOYSA-N
MW237.23 g/mol
LogP0.95
Rot. Bonds1

About 6-fluoro-7-methyl-3-propan-2-yl-9H-pyrimido[1,2-a]pyrimidine-2,8-dione

6-fluoro-7-methyl-3-propan-2-yl-9H-pyrimido[1,2-a]pyrimidine-2,8-dione (PubChem CID 122543751) has the molecular formula C11H12FN3O2 and a molecular weight of 237.23 g/mol. Its IUPAC name is 6-fluoro-7-methyl-3-propan-2-yl-9H-pyrimido[1,2-a]pyrimidine-2,8-dione.

Molecular Properties

Compound Name6-fluoro-7-methyl-3-propan-2-yl-9H-pyrimido[1,2-a]pyrimidine-2,8-dione
PubChem CID122543751
Molecular FormulaC11H12FN3O2
Molecular Weight237.23 g/mol
Exact Mass237.09
IUPAC Name6-fluoro-7-methyl-3-propan-2-yl-9H-pyrimido[1,2-a]pyrimidine-2,8-dione
SMILESCc1c(F)n2cc(C(C)C)c(=O)nc2[nH]c1=O
InChIInChI=1S/C11H12FN3O2/c1-5(2)7-4-15-8(12)6(3)9(16)13-11(15)14-10(7)17/h4-5H,1-3H3,(H,13,14,16,17)
InChIKeyWINNLTRVNQKEPL-UHFFFAOYSA-N
XLogP0.95
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.23
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-7-methyl-3-propan-2-yl-9H-pyrimido[1,2-a]pyrimidine-2,8-dione?
The IUPAC name of 6-fluoro-7-methyl-3-propan-2-yl-9H-pyrimido[1,2-a]pyrimidine-2,8-dione (CID 122543751) is 6-fluoro-7-methyl-3-propan-2-yl-9H-pyrimido[1,2-a]pyrimidine-2,8-dione.
What is the SMILES notation for 6-fluoro-7-methyl-3-propan-2-yl-9H-pyrimido[1,2-a]pyrimidine-2,8-dione?
The canonical SMILES for 6-fluoro-7-methyl-3-propan-2-yl-9H-pyrimido[1,2-a]pyrimidine-2,8-dione is Cc1c(F)n2cc(C(C)C)c(=O)nc2[nH]c1=O.
What is the InChIKey of 6-fluoro-7-methyl-3-propan-2-yl-9H-pyrimido[1,2-a]pyrimidine-2,8-dione?
The InChIKey is WINNLTRVNQKEPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3O2/c1-5(2)7-4-15-8(12)6(3)9(16)13-11(15)14-10(7)17/h4-5H,1-3H3,(H,13,14,16,17).
What are the key properties of 6-fluoro-7-methyl-3-propan-2-yl-9H-pyrimido[1,2-a]pyrimidine-2,8-dione?
6-fluoro-7-methyl-3-propan-2-yl-9H-pyrimido[1,2-a]pyrimidine-2,8-dione has a molecular weight of 237.23 g/mol, XLogP of 0.95, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-7-methyl-3-propan-2-yl-9H-pyrimido[1,2-a]pyrimidine-2,8-dione is sourced from PubChem (CID 122543751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).