4-amino-1-[[(1R)-2,2-difluorocyclopropyl]methyl]pyrimidin-2-one

C8H9F2N3O — CID 175883395

IUPAC4-amino-1-[[(1R)-2,2-difluorocyclopropyl]methyl]pyrimidin-2-one
SMILESNc1ccn(C[C@H]2CC2(F)F)c(=O)n1
InChIInChI=1S/C8H9F2N3O/c9-8(10)3-5(8)4-13-2-1-6(11)12-7(13)14/h1-2,5H,3-4H2,(H2,11,12,14)/t5-/m1/s1
InChIKeyLQTWRDBKBLEAHL-RXMQYKEDSA-N
MW201.18 g/mol
LogP0.48
Rot. Bonds2

About 4-amino-1-[[(1R)-2,2-difluorocyclopropyl]methyl]pyrimidin-2-one

4-amino-1-[[(1R)-2,2-difluorocyclopropyl]methyl]pyrimidin-2-one (PubChem CID 175883395) has the molecular formula C8H9F2N3O and a molecular weight of 201.18 g/mol. Its IUPAC name is 4-amino-1-[[(1R)-2,2-difluorocyclopropyl]methyl]pyrimidin-2-one.

Molecular Properties

Compound Name4-amino-1-[[(1R)-2,2-difluorocyclopropyl]methyl]pyrimidin-2-one
PubChem CID175883395
Molecular FormulaC8H9F2N3O
Molecular Weight201.18 g/mol
Exact Mass201.07
IUPAC Name4-amino-1-[[(1R)-2,2-difluorocyclopropyl]methyl]pyrimidin-2-one
SMILESNc1ccn(C[C@H]2CC2(F)F)c(=O)n1
InChIInChI=1S/C8H9F2N3O/c9-8(10)3-5(8)4-13-2-1-6(11)12-7(13)14/h1-2,5H,3-4H2,(H2,11,12,14)/t5-/m1/s1
InChIKeyLQTWRDBKBLEAHL-RXMQYKEDSA-N
XLogP0.48
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.18
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[[(1R)-2,2-difluorocyclopropyl]methyl]pyrimidin-2-one?
The IUPAC name of 4-amino-1-[[(1R)-2,2-difluorocyclopropyl]methyl]pyrimidin-2-one (CID 175883395) is 4-amino-1-[[(1R)-2,2-difluorocyclopropyl]methyl]pyrimidin-2-one.
What is the SMILES notation for 4-amino-1-[[(1R)-2,2-difluorocyclopropyl]methyl]pyrimidin-2-one?
The canonical SMILES for 4-amino-1-[[(1R)-2,2-difluorocyclopropyl]methyl]pyrimidin-2-one is Nc1ccn(C[C@H]2CC2(F)F)c(=O)n1.
What is the InChIKey of 4-amino-1-[[(1R)-2,2-difluorocyclopropyl]methyl]pyrimidin-2-one?
The InChIKey is LQTWRDBKBLEAHL-RXMQYKEDSA-N. The full InChI is InChI=1S/C8H9F2N3O/c9-8(10)3-5(8)4-13-2-1-6(11)12-7(13)14/h1-2,5H,3-4H2,(H2,11,12,14)/t5-/m1/s1.
What are the key properties of 4-amino-1-[[(1R)-2,2-difluorocyclopropyl]methyl]pyrimidin-2-one?
4-amino-1-[[(1R)-2,2-difluorocyclopropyl]methyl]pyrimidin-2-one has a molecular weight of 201.18 g/mol, XLogP of 0.48, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[[(1R)-2,2-difluorocyclopropyl]methyl]pyrimidin-2-one is sourced from PubChem (CID 175883395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).