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

C11H18F2N4O3 — CID 107484102

IUPAC6-amino-5-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1-propylpyrimidine-2,4-dione
SMILESCCCn1c(N)c(N(CCO)CC(F)F)c(=O)[nH]c1=O
InChIInChI=1S/C11H18F2N4O3/c1-2-3-17-9(14)8(10(19)15-11(17)20)16(4-5-18)6-7(12)13/h7,18H,2-6,14H2,1H3,(H,15,19,20)
InChIKeyXNJAMSYJXJBNFB-UHFFFAOYSA-N
MW292.29 g/mol
LogP-0.41
Rot. Bonds7

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

6-amino-5-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1-propylpyrimidine-2,4-dione (PubChem CID 107484102) has the molecular formula C11H18F2N4O3 and a molecular weight of 292.29 g/mol. Its IUPAC name is 6-amino-5-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1-propylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1-propylpyrimidine-2,4-dione
PubChem CID107484102
Molecular FormulaC11H18F2N4O3
Molecular Weight292.29 g/mol
Exact Mass292.13
IUPAC Name6-amino-5-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1-propylpyrimidine-2,4-dione
SMILESCCCn1c(N)c(N(CCO)CC(F)F)c(=O)[nH]c1=O
InChIInChI=1S/C11H18F2N4O3/c1-2-3-17-9(14)8(10(19)15-11(17)20)16(4-5-18)6-7(12)13/h7,18H,2-6,14H2,1H3,(H,15,19,20)
InChIKeyXNJAMSYJXJBNFB-UHFFFAOYSA-N
XLogP-0.41
TPSA104.35 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 5-0.41
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-propylpyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1-propylpyrimidine-2,4-dione (CID 107484102) is 6-amino-5-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1-propylpyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1-propylpyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1-propylpyrimidine-2,4-dione is CCCn1c(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-propylpyrimidine-2,4-dione?
The InChIKey is XNJAMSYJXJBNFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F2N4O3/c1-2-3-17-9(14)8(10(19)15-11(17)20)16(4-5-18)6-7(12)13/h7,18H,2-6,14H2,1H3,(H,15,19,20).
What are the key properties of 6-amino-5-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1-propylpyrimidine-2,4-dione?
6-amino-5-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1-propylpyrimidine-2,4-dione has a molecular weight of 292.29 g/mol, XLogP of -0.41, 7 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-propylpyrimidine-2,4-dione is sourced from PubChem (CID 107484102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).