6-amino-5-[2,2-difluoroethyl(2-hydroxyethyl)amino]-3-methyl-1-propylpyrimidine-2,4-dione

C12H20F2N4O3 — CID 107484234

IUPAC6-amino-5-[2,2-difluoroethyl(2-hydroxyethyl)amino]-3-methyl-1-propylpyrimidine-2,4-dione
SMILESCCCn1c(N)c(N(CCO)CC(F)F)c(=O)n(C)c1=O
InChIInChI=1S/C12H20F2N4O3/c1-3-4-18-10(15)9(11(20)16(2)12(18)21)17(5-6-19)7-8(13)14/h8,19H,3-7,15H2,1-2H3
InChIKeyAZBOBWBIBUJZBY-UHFFFAOYSA-N
MW306.31 g/mol
LogP-0.40
Rot. Bonds7

About 6-amino-5-[2,2-difluoroethyl(2-hydroxyethyl)amino]-3-methyl-1-propylpyrimidine-2,4-dione

6-amino-5-[2,2-difluoroethyl(2-hydroxyethyl)amino]-3-methyl-1-propylpyrimidine-2,4-dione (PubChem CID 107484234) has the molecular formula C12H20F2N4O3 and a molecular weight of 306.31 g/mol. Its IUPAC name is 6-amino-5-[2,2-difluoroethyl(2-hydroxyethyl)amino]-3-methyl-1-propylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-[2,2-difluoroethyl(2-hydroxyethyl)amino]-3-methyl-1-propylpyrimidine-2,4-dione
PubChem CID107484234
Molecular FormulaC12H20F2N4O3
Molecular Weight306.31 g/mol
Exact Mass306.15
IUPAC Name6-amino-5-[2,2-difluoroethyl(2-hydroxyethyl)amino]-3-methyl-1-propylpyrimidine-2,4-dione
SMILESCCCn1c(N)c(N(CCO)CC(F)F)c(=O)n(C)c1=O
InChIInChI=1S/C12H20F2N4O3/c1-3-4-18-10(15)9(11(20)16(2)12(18)21)17(5-6-19)7-8(13)14/h8,19H,3-7,15H2,1-2H3
InChIKeyAZBOBWBIBUJZBY-UHFFFAOYSA-N
XLogP-0.40
TPSA93.49 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.31
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-amino-5-[2,2-difluoroethyl(2-hydroxyethyl)amino]-3-methyl-1-propylpyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-[2,2-difluoroethyl(2-hydroxyethyl)amino]-3-methyl-1-propylpyrimidine-2,4-dione (CID 107484234) is 6-amino-5-[2,2-difluoroethyl(2-hydroxyethyl)amino]-3-methyl-1-propylpyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-[2,2-difluoroethyl(2-hydroxyethyl)amino]-3-methyl-1-propylpyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-[2,2-difluoroethyl(2-hydroxyethyl)amino]-3-methyl-1-propylpyrimidine-2,4-dione is CCCn1c(N)c(N(CCO)CC(F)F)c(=O)n(C)c1=O.
What is the InChIKey of 6-amino-5-[2,2-difluoroethyl(2-hydroxyethyl)amino]-3-methyl-1-propylpyrimidine-2,4-dione?
The InChIKey is AZBOBWBIBUJZBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F2N4O3/c1-3-4-18-10(15)9(11(20)16(2)12(18)21)17(5-6-19)7-8(13)14/h8,19H,3-7,15H2,1-2H3.
What are the key properties of 6-amino-5-[2,2-difluoroethyl(2-hydroxyethyl)amino]-3-methyl-1-propylpyrimidine-2,4-dione?
6-amino-5-[2,2-difluoroethyl(2-hydroxyethyl)amino]-3-methyl-1-propylpyrimidine-2,4-dione has a molecular weight of 306.31 g/mol, XLogP of -0.40, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-[2,2-difluoroethyl(2-hydroxyethyl)amino]-3-methyl-1-propylpyrimidine-2,4-dione is sourced from PubChem (CID 107484234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).