6-amino-5-(2,3-dihydroxypropylamino)-1-ethylpyrimidine-2,4-dione

C9H16N4O4 — CID 66176069

IUPAC6-amino-5-(2,3-dihydroxypropylamino)-1-ethylpyrimidine-2,4-dione
SMILESCCn1c(N)c(NCC(O)CO)c(=O)[nH]c1=O
InChIInChI=1S/C9H16N4O4/c1-2-13-7(10)6(8(16)12-9(13)17)11-3-5(15)4-14/h5,11,14-15H,2-4,10H2,1H3,(H,12,16,17)
InChIKeyUREYOAGFTUIXEQ-UHFFFAOYSA-N
MW244.25 g/mol
LogP-2.10
Rot. Bonds5

About 6-amino-5-(2,3-dihydroxypropylamino)-1-ethylpyrimidine-2,4-dione

6-amino-5-(2,3-dihydroxypropylamino)-1-ethylpyrimidine-2,4-dione (PubChem CID 66176069) has the molecular formula C9H16N4O4 and a molecular weight of 244.25 g/mol. Its IUPAC name is 6-amino-5-(2,3-dihydroxypropylamino)-1-ethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-(2,3-dihydroxypropylamino)-1-ethylpyrimidine-2,4-dione
PubChem CID66176069
Molecular FormulaC9H16N4O4
Molecular Weight244.25 g/mol
Exact Mass244.12
IUPAC Name6-amino-5-(2,3-dihydroxypropylamino)-1-ethylpyrimidine-2,4-dione
SMILESCCn1c(N)c(NCC(O)CO)c(=O)[nH]c1=O
InChIInChI=1S/C9H16N4O4/c1-2-13-7(10)6(8(16)12-9(13)17)11-3-5(15)4-14/h5,11,14-15H,2-4,10H2,1H3,(H,12,16,17)
InChIKeyUREYOAGFTUIXEQ-UHFFFAOYSA-N
XLogP-2.10
TPSA133.37 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 5-2.10
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-amino-5-(2,3-dihydroxypropylamino)-1-ethylpyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-(2,3-dihydroxypropylamino)-1-ethylpyrimidine-2,4-dione (CID 66176069) is 6-amino-5-(2,3-dihydroxypropylamino)-1-ethylpyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-(2,3-dihydroxypropylamino)-1-ethylpyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-(2,3-dihydroxypropylamino)-1-ethylpyrimidine-2,4-dione is CCn1c(N)c(NCC(O)CO)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-5-(2,3-dihydroxypropylamino)-1-ethylpyrimidine-2,4-dione?
The InChIKey is UREYOAGFTUIXEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O4/c1-2-13-7(10)6(8(16)12-9(13)17)11-3-5(15)4-14/h5,11,14-15H,2-4,10H2,1H3,(H,12,16,17).
What are the key properties of 6-amino-5-(2,3-dihydroxypropylamino)-1-ethylpyrimidine-2,4-dione?
6-amino-5-(2,3-dihydroxypropylamino)-1-ethylpyrimidine-2,4-dione has a molecular weight of 244.25 g/mol, XLogP of -2.10, 5 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-(2,3-dihydroxypropylamino)-1-ethylpyrimidine-2,4-dione is sourced from PubChem (CID 66176069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).