4-[2-aminoethyl(2,2-difluoroethyl)amino]-2-ethyl-1H-pyrimidin-6-one

C10H16F2N4O — CID 136728227

IUPAC4-[2-aminoethyl(2,2-difluoroethyl)amino]-2-ethyl-1H-pyrimidin-6-one
SMILESCCc1nc(N(CCN)CC(F)F)cc(=O)[nH]1
InChIInChI=1S/C10H16F2N4O/c1-2-8-14-9(5-10(17)15-8)16(4-3-13)6-7(11)12/h5,7H,2-4,6,13H2,1H3,(H,14,15,17)
InChIKeyDNOYZARLVBDXJP-UHFFFAOYSA-N
MW246.26 g/mol
LogP0.36
Rot. Bonds6

About 4-[2-aminoethyl(2,2-difluoroethyl)amino]-2-ethyl-1H-pyrimidin-6-one

4-[2-aminoethyl(2,2-difluoroethyl)amino]-2-ethyl-1H-pyrimidin-6-one (PubChem CID 136728227) has the molecular formula C10H16F2N4O and a molecular weight of 246.26 g/mol. Its IUPAC name is 4-[2-aminoethyl(2,2-difluoroethyl)amino]-2-ethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[2-aminoethyl(2,2-difluoroethyl)amino]-2-ethyl-1H-pyrimidin-6-one
PubChem CID136728227
Molecular FormulaC10H16F2N4O
Molecular Weight246.26 g/mol
Exact Mass246.13
IUPAC Name4-[2-aminoethyl(2,2-difluoroethyl)amino]-2-ethyl-1H-pyrimidin-6-one
SMILESCCc1nc(N(CCN)CC(F)F)cc(=O)[nH]1
InChIInChI=1S/C10H16F2N4O/c1-2-8-14-9(5-10(17)15-8)16(4-3-13)6-7(11)12/h5,7H,2-4,6,13H2,1H3,(H,14,15,17)
InChIKeyDNOYZARLVBDXJP-UHFFFAOYSA-N
XLogP0.36
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(methylaminomethyl)-2-(2,2,2-trifluoroethyl)-1H-pyrimidin-6-one
CID 135978395
4-(ethylaminomethyl)-2-(2,2,2-trifluoroethyl)-1H-pyrimidin-6-one
CID 136095578
4-(propylaminomethyl)-2-(2,2,2-trifluoroethyl)-1H-pyrimidin-6-one
CID 136095842
2-(1-piperazin-1-ylpropyl)-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 136171456
4-(difluoromethyl)-2-(1-piperazin-1-ylethyl)-1H-pyrimidin-6-one
CID 136171494
4-(propylaminomethyl)-2-(3,3,3-trifluoropropyl)-1H-pyrimidin-6-one
CID 136283622
4-piperazin-1-yl-2-(trifluoromethyl)-1H-pyrimidin-6-one
CID 136327232
4-[2-aminoethyl(2,2-difluoroethyl)amino]-2-methyl-1H-pyrimidin-6-one
CID 136728229
4-[2-aminoethyl(2,2-difluoroethyl)amino]-1H-pyrimidin-6-one
CID 136728230
4-[2-aminoethyl(2,2,2-trifluoroethyl)amino]-2-cyclopropyl-1H-pyrimidin-6-one
CID 136728234
4-[2-aminoethyl(2,2,2-trifluoroethyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136728236
4-[2-aminoethyl(2,2,2-trifluoroethyl)amino]-1H-pyrimidin-6-one
CID 136728238

Frequently Asked Questions

What is the IUPAC name of 4-[2-aminoethyl(2,2-difluoroethyl)amino]-2-ethyl-1H-pyrimidin-6-one?
The IUPAC name of 4-[2-aminoethyl(2,2-difluoroethyl)amino]-2-ethyl-1H-pyrimidin-6-one (CID 136728227) is 4-[2-aminoethyl(2,2-difluoroethyl)amino]-2-ethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[2-aminoethyl(2,2-difluoroethyl)amino]-2-ethyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[2-aminoethyl(2,2-difluoroethyl)amino]-2-ethyl-1H-pyrimidin-6-one is CCc1nc(N(CCN)CC(F)F)cc(=O)[nH]1.
What is the InChIKey of 4-[2-aminoethyl(2,2-difluoroethyl)amino]-2-ethyl-1H-pyrimidin-6-one?
The InChIKey is DNOYZARLVBDXJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F2N4O/c1-2-8-14-9(5-10(17)15-8)16(4-3-13)6-7(11)12/h5,7H,2-4,6,13H2,1H3,(H,14,15,17).
What are the key properties of 4-[2-aminoethyl(2,2-difluoroethyl)amino]-2-ethyl-1H-pyrimidin-6-one?
4-[2-aminoethyl(2,2-difluoroethyl)amino]-2-ethyl-1H-pyrimidin-6-one has a molecular weight of 246.26 g/mol, XLogP of 0.36, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-aminoethyl(2,2-difluoroethyl)amino]-2-ethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136728227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).