4-(2-fluoroethylamino)-2-propan-2-yl-1H-pyrimidin-6-one

C9H14FN3O — CID 137273012

IUPAC4-(2-fluoroethylamino)-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nc(NCCF)cc(=O)[nH]1
InChIInChI=1S/C9H14FN3O/c1-6(2)9-12-7(11-4-3-10)5-8(14)13-9/h5-6H,3-4H2,1-2H3,(H2,11,12,13,14)
InChIKeyFTLDITHQELLLKD-UHFFFAOYSA-N
MW199.23 g/mol
LogP1.27
Rot. Bonds4

About 4-(2-fluoroethylamino)-2-propan-2-yl-1H-pyrimidin-6-one

4-(2-fluoroethylamino)-2-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 137273012) has the molecular formula C9H14FN3O and a molecular weight of 199.23 g/mol. Its IUPAC name is 4-(2-fluoroethylamino)-2-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(2-fluoroethylamino)-2-propan-2-yl-1H-pyrimidin-6-one
PubChem CID137273012
Molecular FormulaC9H14FN3O
Molecular Weight199.23 g/mol
Exact Mass199.11
IUPAC Name4-(2-fluoroethylamino)-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nc(NCCF)cc(=O)[nH]1
InChIInChI=1S/C9H14FN3O/c1-6(2)9-12-7(11-4-3-10)5-8(14)13-9/h5-6H,3-4H2,1-2H3,(H2,11,12,13,14)
InChIKeyFTLDITHQELLLKD-UHFFFAOYSA-N
XLogP1.27
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.23
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-fluoro-2-propan-2-yl-1H-pyrimidin-6-one
CID 67476784
2-Methyl-6-(methylamino)-4-pyrimidinol
CID 135577483
2-(1-aminopropan-2-yl)-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 136103466
4-[2-aminoethyl(2,2-difluoroethyl)amino]-2-ethyl-1H-pyrimidin-6-one
CID 136728227
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
2-methyl-4-(4,4,4-trifluorobutan-2-ylamino)-1H-pyrimidin-6-one
CID 136786687
2-cyclopropyl-4-(4,4,4-trifluorobutan-2-ylamino)-1H-pyrimidin-6-one
CID 136786691
2-propan-2-yl-4-(4,4,4-trifluorobutan-2-ylamino)-1H-pyrimidin-6-one
CID 136786694
4-(propylamino)-2-(trifluoromethyl)-1H-pyrimidin-6-one
CID 136802783
4-(ethylamino)-2-(trifluoromethyl)-1H-pyrimidin-6-one
CID 136802785
2-methyl-4-(2,2,3,3-tetrafluoropropylamino)-1H-pyrimidin-6-one
CID 136819404

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoroethylamino)-2-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-(2-fluoroethylamino)-2-propan-2-yl-1H-pyrimidin-6-one (CID 137273012) is 4-(2-fluoroethylamino)-2-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(2-fluoroethylamino)-2-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(2-fluoroethylamino)-2-propan-2-yl-1H-pyrimidin-6-one is CC(C)c1nc(NCCF)cc(=O)[nH]1.
What is the InChIKey of 4-(2-fluoroethylamino)-2-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is FTLDITHQELLLKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FN3O/c1-6(2)9-12-7(11-4-3-10)5-8(14)13-9/h5-6H,3-4H2,1-2H3,(H2,11,12,13,14).
What are the key properties of 4-(2-fluoroethylamino)-2-propan-2-yl-1H-pyrimidin-6-one?
4-(2-fluoroethylamino)-2-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 199.23 g/mol, XLogP of 1.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoroethylamino)-2-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 137273012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).