5-[bis(2-fluoroethyl)amino]-6-methyl-1H-pyrimidine-2,4-dione

C9H13F2N3O2 — CID 870528

IUPAC5-[bis(2-fluoroethyl)amino]-6-methyl-1H-pyrimidine-2,4-dione
SMILESCc1[nH]c(=O)[nH]c(=O)c1N(CCF)CCF
InChIInChI=1S/C9H13F2N3O2/c1-6-7(8(15)13-9(16)12-6)14(4-2-10)5-3-11/h2-5H2,1H3,(H2,12,13,15,16)
InChIKeyRMNXQQKKGKACRZ-UHFFFAOYSA-N
MW233.22 g/mol
LogP0.12
Rot. Bonds5

About 5-[bis(2-fluoroethyl)amino]-6-methyl-1H-pyrimidine-2,4-dione

5-[bis(2-fluoroethyl)amino]-6-methyl-1H-pyrimidine-2,4-dione (PubChem CID 870528) has the molecular formula C9H13F2N3O2 and a molecular weight of 233.22 g/mol. Its IUPAC name is 5-[bis(2-fluoroethyl)amino]-6-methyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[bis(2-fluoroethyl)amino]-6-methyl-1H-pyrimidine-2,4-dione
PubChem CID870528
Molecular FormulaC9H13F2N3O2
Molecular Weight233.22 g/mol
Exact Mass233.10
IUPAC Name5-[bis(2-fluoroethyl)amino]-6-methyl-1H-pyrimidine-2,4-dione
SMILESCc1[nH]c(=O)[nH]c(=O)c1N(CCF)CCF
InChIInChI=1S/C9H13F2N3O2/c1-6-7(8(15)13-9(16)12-6)14(4-2-10)5-3-11/h2-5H2,1H3,(H2,12,13,15,16)
InChIKeyRMNXQQKKGKACRZ-UHFFFAOYSA-N
XLogP0.12
TPSA68.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.22
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[bis(2-fluoroethyl)amino]-6-methyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[bis(2-fluoroethyl)amino]-6-methyl-1H-pyrimidine-2,4-dione (CID 870528) is 5-[bis(2-fluoroethyl)amino]-6-methyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[bis(2-fluoroethyl)amino]-6-methyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[bis(2-fluoroethyl)amino]-6-methyl-1H-pyrimidine-2,4-dione is Cc1[nH]c(=O)[nH]c(=O)c1N(CCF)CCF.
What is the InChIKey of 5-[bis(2-fluoroethyl)amino]-6-methyl-1H-pyrimidine-2,4-dione?
The InChIKey is RMNXQQKKGKACRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F2N3O2/c1-6-7(8(15)13-9(16)12-6)14(4-2-10)5-3-11/h2-5H2,1H3,(H2,12,13,15,16).
What are the key properties of 5-[bis(2-fluoroethyl)amino]-6-methyl-1H-pyrimidine-2,4-dione?
5-[bis(2-fluoroethyl)amino]-6-methyl-1H-pyrimidine-2,4-dione has a molecular weight of 233.22 g/mol, XLogP of 0.12, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[bis(2-fluoroethyl)amino]-6-methyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 870528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).