6-(fluoromethyl)-3-methyl-1H-pyrimidine-2,4-dione

C6H7FN2O2 — CID 170095961

IUPAC6-(fluoromethyl)-3-methyl-1H-pyrimidine-2,4-dione
SMILESCn1c(=O)cc(CF)[nH]c1=O
InChIInChI=1S/C6H7FN2O2/c1-9-5(10)2-4(3-7)8-6(9)11/h2H,3H2,1H3,(H,8,11)
InChIKeyDQQVNDPGGHUUGZ-UHFFFAOYSA-N
MW158.13 g/mol
LogP-0.46
Rot. Bonds1

About 6-(fluoromethyl)-3-methyl-1H-pyrimidine-2,4-dione

6-(fluoromethyl)-3-methyl-1H-pyrimidine-2,4-dione (PubChem CID 170095961) has the molecular formula C6H7FN2O2 and a molecular weight of 158.13 g/mol. Its IUPAC name is 6-(fluoromethyl)-3-methyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(fluoromethyl)-3-methyl-1H-pyrimidine-2,4-dione
PubChem CID170095961
Molecular FormulaC6H7FN2O2
Molecular Weight158.13 g/mol
Exact Mass158.05
IUPAC Name6-(fluoromethyl)-3-methyl-1H-pyrimidine-2,4-dione
SMILESCn1c(=O)cc(CF)[nH]c1=O
InChIInChI=1S/C6H7FN2O2/c1-9-5(10)2-4(3-7)8-6(9)11/h2H,3H2,1H3,(H,8,11)
InChIKeyDQQVNDPGGHUUGZ-UHFFFAOYSA-N
XLogP-0.46
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.13
LogP ≤ 5-0.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-Methyluracil
CID 12283
3-sec-Butyl-6-methyluracil
CID 100019
6-Amino-1-methyluracil
CID 75520
1,3,6-Trimethyl-2,4(1H,3H)-pyrimidinedione
CID 26075
2,4(1H,3H)-Pyrimidinedione, 3,6-dimethyl-
CID 88193
2,4(1H,3H)-Pyrimidinedione, 3-ethyl-6-methyl-
CID 70505
Uracil, 3-butyl-6-methyl-
CID 70528
Uracil, 6-methyl-4-propyl-
CID 165610
6-(Difluoromethyl)-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 99983450
3-Isobutyl-6-methyluracil
CID 103331
Di-methyl-5-fluorouracil
CID 60060121
Divinylfluorouracil
CID 126697175

Frequently Asked Questions

What is the IUPAC name of 6-(fluoromethyl)-3-methyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-(fluoromethyl)-3-methyl-1H-pyrimidine-2,4-dione (CID 170095961) is 6-(fluoromethyl)-3-methyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-(fluoromethyl)-3-methyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-(fluoromethyl)-3-methyl-1H-pyrimidine-2,4-dione is Cn1c(=O)cc(CF)[nH]c1=O.
What is the InChIKey of 6-(fluoromethyl)-3-methyl-1H-pyrimidine-2,4-dione?
The InChIKey is DQQVNDPGGHUUGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7FN2O2/c1-9-5(10)2-4(3-7)8-6(9)11/h2H,3H2,1H3,(H,8,11).
What are the key properties of 6-(fluoromethyl)-3-methyl-1H-pyrimidine-2,4-dione?
6-(fluoromethyl)-3-methyl-1H-pyrimidine-2,4-dione has a molecular weight of 158.13 g/mol, XLogP of -0.46, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(fluoromethyl)-3-methyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 170095961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).