6-amino-5-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1-methylpyrimidine-2,4-dione

C9H14F2N4O3 — CID 107484274

IUPAC6-amino-5-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1-methylpyrimidine-2,4-dione
SMILESCn1c(N)c(N(CCO)CC(F)F)c(=O)[nH]c1=O
InChIInChI=1S/C9H14F2N4O3/c1-14-7(12)6(8(17)13-9(14)18)15(2-3-16)4-5(10)11/h5,16H,2-4,12H2,1H3,(H,13,17,18)
InChIKeyFREBVRBVXDHOPT-UHFFFAOYSA-N
MW264.23 g/mol
LogP-1.28
Rot. Bonds5

About 6-amino-5-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1-methylpyrimidine-2,4-dione

6-amino-5-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1-methylpyrimidine-2,4-dione (PubChem CID 107484274) has the molecular formula C9H14F2N4O3 and a molecular weight of 264.23 g/mol. Its IUPAC name is 6-amino-5-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1-methylpyrimidine-2,4-dione
PubChem CID107484274
Molecular FormulaC9H14F2N4O3
Molecular Weight264.23 g/mol
Exact Mass264.10
IUPAC Name6-amino-5-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1-methylpyrimidine-2,4-dione
SMILESCn1c(N)c(N(CCO)CC(F)F)c(=O)[nH]c1=O
InChIInChI=1S/C9H14F2N4O3/c1-14-7(12)6(8(17)13-9(14)18)15(2-3-16)4-5(10)11/h5,16H,2-4,12H2,1H3,(H,13,17,18)
InChIKeyFREBVRBVXDHOPT-UHFFFAOYSA-N
XLogP-1.28
TPSA104.35 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.23
LogP ≤ 5-1.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-amino-5-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1-methylpyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1-methylpyrimidine-2,4-dione (CID 107484274) is 6-amino-5-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1-methylpyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1-methylpyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1-methylpyrimidine-2,4-dione is Cn1c(N)c(N(CCO)CC(F)F)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-5-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1-methylpyrimidine-2,4-dione?
The InChIKey is FREBVRBVXDHOPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F2N4O3/c1-14-7(12)6(8(17)13-9(14)18)15(2-3-16)4-5(10)11/h5,16H,2-4,12H2,1H3,(H,13,17,18).
What are the key properties of 6-amino-5-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1-methylpyrimidine-2,4-dione?
6-amino-5-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1-methylpyrimidine-2,4-dione has a molecular weight of 264.23 g/mol, XLogP of -1.28, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1-methylpyrimidine-2,4-dione is sourced from PubChem (CID 107484274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).