4-(2-fluoroethylamino)-2-methyl-1H-pyrimidin-6-one

C7H10FN3O — CID 137243133

IUPAC4-(2-fluoroethylamino)-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(NCCF)cc(=O)[nH]1
InChIInChI=1S/C7H10FN3O/c1-5-10-6(9-3-2-8)4-7(12)11-5/h4H,2-3H2,1H3,(H2,9,10,11,12)
InChIKeyKMLNIOKOQWUFDR-UHFFFAOYSA-N
MW171.17 g/mol
LogP0.46
Rot. Bonds3

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

4-(2-fluoroethylamino)-2-methyl-1H-pyrimidin-6-one (PubChem CID 137243133) has the molecular formula C7H10FN3O and a molecular weight of 171.17 g/mol. Its IUPAC name is 4-(2-fluoroethylamino)-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(2-fluoroethylamino)-2-methyl-1H-pyrimidin-6-one
PubChem CID137243133
Molecular FormulaC7H10FN3O
Molecular Weight171.17 g/mol
Exact Mass171.08
IUPAC Name4-(2-fluoroethylamino)-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(NCCF)cc(=O)[nH]1
InChIInChI=1S/C7H10FN3O/c1-5-10-6(9-3-2-8)4-7(12)11-5/h4H,2-3H2,1H3,(H2,9,10,11,12)
InChIKeyKMLNIOKOQWUFDR-UHFFFAOYSA-N
XLogP0.46
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.17
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(ethylamino)-6-fluoro-1H-pyrimidin-4-one
CID 135506826
4(3H)-Pyrimidinone, 6-fluoro-2-methyl-(8CI)
CID 135618098
4-fluoro-2-(propylamino)-1H-pyrimidin-6-one
CID 166556696
N-(2-methyl-6-oxo-1,6-dihydropyrimidin-4-yl)acetamide
CID 135515053
2-Methyl-6-(methylamino)-4-pyrimidinol
CID 135577483
6-(Ethylamino)-4-fluoropyrimidin-2(1H)-one
CID 15274271
4-[2-aminoethyl(2,2-difluoroethyl)amino]-2-methyl-1H-pyrimidin-6-one
CID 136728229
2-methyl-4-(4,4,4-trifluorobutan-2-ylamino)-1H-pyrimidin-6-one
CID 136786687
4-(propylamino)-2-(trifluoromethyl)-1H-pyrimidin-6-one
CID 136802783
4-(methylamino)-2-(trifluoromethyl)-1H-pyrimidin-6-one
CID 136802784
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-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-(2-fluoroethylamino)-2-methyl-1H-pyrimidin-6-one (CID 137243133) is 4-(2-fluoroethylamino)-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(2-fluoroethylamino)-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(2-fluoroethylamino)-2-methyl-1H-pyrimidin-6-one is Cc1nc(NCCF)cc(=O)[nH]1.
What is the InChIKey of 4-(2-fluoroethylamino)-2-methyl-1H-pyrimidin-6-one?
The InChIKey is KMLNIOKOQWUFDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10FN3O/c1-5-10-6(9-3-2-8)4-7(12)11-5/h4H,2-3H2,1H3,(H2,9,10,11,12).
What are the key properties of 4-(2-fluoroethylamino)-2-methyl-1H-pyrimidin-6-one?
4-(2-fluoroethylamino)-2-methyl-1H-pyrimidin-6-one has a molecular weight of 171.17 g/mol, XLogP of 0.46, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoroethylamino)-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 137243133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).