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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Related Compounds

Fluorodopan
CID 13268
5-Amino-3,6-dimethylpyrimidine-2,4(1H,3H)-dione
CID 57357509
5-(Dimethylamino)-6-methylpyrimidine-2,4-diol
CID 717730
5-Acetylamino-6-amino-1,3-dimethyl-1H-pyrimidine-2,4-dione
CID 12257486
Acetamide, 2-(dimethylamino)-N-(2,4-dioxo-1,3,6-trimethyl-1,2,3,4-tetrahydro-5-pyrimidinyl)-
CID 57296
N-(1-Butyl-3,6-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-2-(trimethylazaniumyl)ethanimidate--hydrogen bromide (1/1)
CID 59538
2-(Dimethylamino)-N-(1,3,6-trimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)propanimidic acid
CID 3064443
6-Methyl-5-(methylamino)-2,4(1H,3H)-pyrimidinedione
CID 55255935
6-Amino-1-ethyl-5-(ethylamino)-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 47003040
Klu89pbv3E
CID 141478266
5-[(2-Fluoroethyl)(2-hydroxyethyl)amino]-6-methylpyrimidine-2,4(1h,3h)-dione
CID 252268
5-fluoro-3-propan-2-yl-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione
CID 21824416

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).