2-amino-4-cyclopropyl-5-(2,2-difluoroethyl)-1H-pyrimidin-6-one

C9H11F2N3O — CID 164908323

IUPAC2-amino-4-cyclopropyl-5-(2,2-difluoroethyl)-1H-pyrimidin-6-one
SMILESNc1nc(C2CC2)c(CC(F)F)c(=O)[nH]1
InChIInChI=1S/C9H11F2N3O/c10-6(11)3-5-7(4-1-2-4)13-9(12)14-8(5)15/h4,6H,1-3H2,(H3,12,13,14,15)
InChIKeyVDZXTQUTPSMWNQ-UHFFFAOYSA-N
MW215.20 g/mol
LogP1.04
Rot. Bonds3

About 2-amino-4-cyclopropyl-5-(2,2-difluoroethyl)-1H-pyrimidin-6-one

2-amino-4-cyclopropyl-5-(2,2-difluoroethyl)-1H-pyrimidin-6-one (PubChem CID 164908323) has the molecular formula C9H11F2N3O and a molecular weight of 215.20 g/mol. Its IUPAC name is 2-amino-4-cyclopropyl-5-(2,2-difluoroethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-amino-4-cyclopropyl-5-(2,2-difluoroethyl)-1H-pyrimidin-6-one
PubChem CID164908323
Molecular FormulaC9H11F2N3O
Molecular Weight215.20 g/mol
Exact Mass215.09
IUPAC Name2-amino-4-cyclopropyl-5-(2,2-difluoroethyl)-1H-pyrimidin-6-one
SMILESNc1nc(C2CC2)c(CC(F)F)c(=O)[nH]1
InChIInChI=1S/C9H11F2N3O/c10-6(11)3-5-7(4-1-2-4)13-9(12)14-8(5)15/h4,6H,1-3H2,(H3,12,13,14,15)
InChIKeyVDZXTQUTPSMWNQ-UHFFFAOYSA-N
XLogP1.04
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.20
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-cyclopropyl-5-(2,2-difluoroethyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-amino-4-cyclopropyl-5-(2,2-difluoroethyl)-1H-pyrimidin-6-one (CID 164908323) is 2-amino-4-cyclopropyl-5-(2,2-difluoroethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-amino-4-cyclopropyl-5-(2,2-difluoroethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-amino-4-cyclopropyl-5-(2,2-difluoroethyl)-1H-pyrimidin-6-one is Nc1nc(C2CC2)c(CC(F)F)c(=O)[nH]1.
What is the InChIKey of 2-amino-4-cyclopropyl-5-(2,2-difluoroethyl)-1H-pyrimidin-6-one?
The InChIKey is VDZXTQUTPSMWNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2N3O/c10-6(11)3-5-7(4-1-2-4)13-9(12)14-8(5)15/h4,6H,1-3H2,(H3,12,13,14,15).
What are the key properties of 2-amino-4-cyclopropyl-5-(2,2-difluoroethyl)-1H-pyrimidin-6-one?
2-amino-4-cyclopropyl-5-(2,2-difluoroethyl)-1H-pyrimidin-6-one has a molecular weight of 215.20 g/mol, XLogP of 1.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-cyclopropyl-5-(2,2-difluoroethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 164908323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).