4-cyclopropyl-7-fluoro-5-methyl-6-pyrimidin-2-ylpyrido[1,2-c]pyrimidine-1,3-dione

C16H13FN4O2 — CID 22560343

IUPAC4-cyclopropyl-7-fluoro-5-methyl-6-pyrimidin-2-ylpyrido[1,2-c]pyrimidine-1,3-dione
SMILESCc1c(-c2ncccn2)c(F)cn2c(=O)[nH]c(=O)c(C3CC3)c12
InChIInChI=1S/C16H13FN4O2/c1-8-11(14-18-5-2-6-19-14)10(17)7-21-13(8)12(9-3-4-9)15(22)20-16(21)23/h2,5-7,9H,3-4H2,1H3,(H,20,22,23)
InChIKeyUHDYGBGQJJMHEJ-UHFFFAOYSA-N
MW312.30 g/mol
LogP1.77
Rot. Bonds2

About 4-cyclopropyl-7-fluoro-5-methyl-6-pyrimidin-2-ylpyrido[1,2-c]pyrimidine-1,3-dione

4-cyclopropyl-7-fluoro-5-methyl-6-pyrimidin-2-ylpyrido[1,2-c]pyrimidine-1,3-dione (PubChem CID 22560343) has the molecular formula C16H13FN4O2 and a molecular weight of 312.30 g/mol. Its IUPAC name is 4-cyclopropyl-7-fluoro-5-methyl-6-pyrimidin-2-ylpyrido[1,2-c]pyrimidine-1,3-dione.

Molecular Properties

Compound Name4-cyclopropyl-7-fluoro-5-methyl-6-pyrimidin-2-ylpyrido[1,2-c]pyrimidine-1,3-dione
PubChem CID22560343
Molecular FormulaC16H13FN4O2
Molecular Weight312.30 g/mol
Exact Mass312.10
IUPAC Name4-cyclopropyl-7-fluoro-5-methyl-6-pyrimidin-2-ylpyrido[1,2-c]pyrimidine-1,3-dione
SMILESCc1c(-c2ncccn2)c(F)cn2c(=O)[nH]c(=O)c(C3CC3)c12
InChIInChI=1S/C16H13FN4O2/c1-8-11(14-18-5-2-6-19-14)10(17)7-21-13(8)12(9-3-4-9)15(22)20-16(21)23/h2,5-7,9H,3-4H2,1H3,(H,20,22,23)
InChIKeyUHDYGBGQJJMHEJ-UHFFFAOYSA-N
XLogP1.77
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.30
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-7-fluoro-5-methyl-6-pyrimidin-2-ylpyrido[1,2-c]pyrimidine-1,3-dione?
The IUPAC name of 4-cyclopropyl-7-fluoro-5-methyl-6-pyrimidin-2-ylpyrido[1,2-c]pyrimidine-1,3-dione (CID 22560343) is 4-cyclopropyl-7-fluoro-5-methyl-6-pyrimidin-2-ylpyrido[1,2-c]pyrimidine-1,3-dione.
What is the SMILES notation for 4-cyclopropyl-7-fluoro-5-methyl-6-pyrimidin-2-ylpyrido[1,2-c]pyrimidine-1,3-dione?
The canonical SMILES for 4-cyclopropyl-7-fluoro-5-methyl-6-pyrimidin-2-ylpyrido[1,2-c]pyrimidine-1,3-dione is Cc1c(-c2ncccn2)c(F)cn2c(=O)[nH]c(=O)c(C3CC3)c12.
What is the InChIKey of 4-cyclopropyl-7-fluoro-5-methyl-6-pyrimidin-2-ylpyrido[1,2-c]pyrimidine-1,3-dione?
The InChIKey is UHDYGBGQJJMHEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN4O2/c1-8-11(14-18-5-2-6-19-14)10(17)7-21-13(8)12(9-3-4-9)15(22)20-16(21)23/h2,5-7,9H,3-4H2,1H3,(H,20,22,23).
What are the key properties of 4-cyclopropyl-7-fluoro-5-methyl-6-pyrimidin-2-ylpyrido[1,2-c]pyrimidine-1,3-dione?
4-cyclopropyl-7-fluoro-5-methyl-6-pyrimidin-2-ylpyrido[1,2-c]pyrimidine-1,3-dione has a molecular weight of 312.30 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-7-fluoro-5-methyl-6-pyrimidin-2-ylpyrido[1,2-c]pyrimidine-1,3-dione is sourced from PubChem (CID 22560343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).