2-cyclopropyl-4-[2-(2,2-difluoroethoxy)ethylamino]-1H-pyrimidin-6-one

C11H15F2N3O2 — CID 136999738

IUPAC2-cyclopropyl-4-[2-(2,2-difluoroethoxy)ethylamino]-1H-pyrimidin-6-one
SMILESO=c1cc(NCCOCC(F)F)nc(C2CC2)[nH]1
InChIInChI=1S/C11H15F2N3O2/c12-8(13)6-18-4-3-14-9-5-10(17)16-11(15-9)7-1-2-7/h5,7-8H,1-4,6H2,(H2,14,15,16,17)
InChIKeySRIACODQEZUCPY-UHFFFAOYSA-N
MW259.26 g/mol
LogP1.34
Rot. Bonds7

About 2-cyclopropyl-4-[2-(2,2-difluoroethoxy)ethylamino]-1H-pyrimidin-6-one

2-cyclopropyl-4-[2-(2,2-difluoroethoxy)ethylamino]-1H-pyrimidin-6-one (PubChem CID 136999738) has the molecular formula C11H15F2N3O2 and a molecular weight of 259.26 g/mol. Its IUPAC name is 2-cyclopropyl-4-[2-(2,2-difluoroethoxy)ethylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclopropyl-4-[2-(2,2-difluoroethoxy)ethylamino]-1H-pyrimidin-6-one
PubChem CID136999738
Molecular FormulaC11H15F2N3O2
Molecular Weight259.26 g/mol
Exact Mass259.11
IUPAC Name2-cyclopropyl-4-[2-(2,2-difluoroethoxy)ethylamino]-1H-pyrimidin-6-one
SMILESO=c1cc(NCCOCC(F)F)nc(C2CC2)[nH]1
InChIInChI=1S/C11H15F2N3O2/c12-8(13)6-18-4-3-14-9-5-10(17)16-11(15-9)7-1-2-7/h5,7-8H,1-4,6H2,(H2,14,15,16,17)
InChIKeySRIACODQEZUCPY-UHFFFAOYSA-N
XLogP1.34
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-cyclopropyl-4-[2-(2,2-difluoroethoxy)ethylamino]-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-cyclopropyl-4-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-1H-pyrimidin-6-one
CID 136737806
2-cyclopropyl-4-(4,4,4-trifluorobutan-2-ylamino)-1H-pyrimidin-6-one
CID 136786691
2-cyclopropyl-4-[(3,3,3-trifluoro-2-hydroxypropyl)amino]-1H-pyrimidin-6-one
CID 136790773
2-cyclopropyl-4-(2,2,3,3-tetrafluoropropylamino)-1H-pyrimidin-6-one
CID 136819409
2-cyclopropyl-4-[(2,2-difluoro-3-hydroxypropyl)amino]-1H-pyrimidin-6-one
CID 136849690
4-[2-(2,2-difluoroethoxy)ethylamino]-2-methyl-1H-pyrimidin-6-one
CID 136896828
4-[2-(2,2-difluoroethoxy)ethylamino]-2-ethyl-1H-pyrimidin-6-one
CID 136896836
2-cyclopropyl-4-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1H-pyrimidin-6-one
CID 136932118
2-cyclopropyl-4-[(3,3-difluoro-2-hydroxypropyl)amino]-1H-pyrimidin-6-one
CID 136948166
2-methyl-4-[2-(2,2,2-trifluoroethoxy)ethylamino]-1H-pyrimidin-6-one
CID 136956679
2-cyclopropyl-4-(2,2,2-trifluoroethylamino)-1H-pyrimidin-6-one
CID 136973713
2-cyclopropyl-4-(3,3,3-trifluoropropylamino)-1H-pyrimidin-6-one
CID 136975604

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-[2-(2,2-difluoroethoxy)ethylamino]-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclopropyl-4-[2-(2,2-difluoroethoxy)ethylamino]-1H-pyrimidin-6-one (CID 136999738) is 2-cyclopropyl-4-[2-(2,2-difluoroethoxy)ethylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclopropyl-4-[2-(2,2-difluoroethoxy)ethylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclopropyl-4-[2-(2,2-difluoroethoxy)ethylamino]-1H-pyrimidin-6-one is O=c1cc(NCCOCC(F)F)nc(C2CC2)[nH]1.
What is the InChIKey of 2-cyclopropyl-4-[2-(2,2-difluoroethoxy)ethylamino]-1H-pyrimidin-6-one?
The InChIKey is SRIACODQEZUCPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2N3O2/c12-8(13)6-18-4-3-14-9-5-10(17)16-11(15-9)7-1-2-7/h5,7-8H,1-4,6H2,(H2,14,15,16,17).
What are the key properties of 2-cyclopropyl-4-[2-(2,2-difluoroethoxy)ethylamino]-1H-pyrimidin-6-one?
2-cyclopropyl-4-[2-(2,2-difluoroethoxy)ethylamino]-1H-pyrimidin-6-one has a molecular weight of 259.26 g/mol, XLogP of 1.34, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-[2-(2,2-difluoroethoxy)ethylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136999738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).