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

C11H20N4O4 — CID 66176927

IUPAC6-amino-5-(2,3-dihydroxypropylamino)-3-methyl-1-propylpyrimidine-2,4-dione
SMILESCCCn1c(N)c(NCC(O)CO)c(=O)n(C)c1=O
InChIInChI=1S/C11H20N4O4/c1-3-4-15-9(12)8(13-5-7(17)6-16)10(18)14(2)11(15)19/h7,13,16-17H,3-6,12H2,1-2H3
InChIKeyILFLETQSIVXYJD-UHFFFAOYSA-N
MW272.30 g/mol
LogP-1.70
Rot. Bonds6

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

6-amino-5-(2,3-dihydroxypropylamino)-3-methyl-1-propylpyrimidine-2,4-dione (PubChem CID 66176927) has the molecular formula C11H20N4O4 and a molecular weight of 272.30 g/mol. Its IUPAC name is 6-amino-5-(2,3-dihydroxypropylamino)-3-methyl-1-propylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-(2,3-dihydroxypropylamino)-3-methyl-1-propylpyrimidine-2,4-dione
PubChem CID66176927
Molecular FormulaC11H20N4O4
Molecular Weight272.30 g/mol
Exact Mass272.15
IUPAC Name6-amino-5-(2,3-dihydroxypropylamino)-3-methyl-1-propylpyrimidine-2,4-dione
SMILESCCCn1c(N)c(NCC(O)CO)c(=O)n(C)c1=O
InChIInChI=1S/C11H20N4O4/c1-3-4-15-9(12)8(13-5-7(17)6-16)10(18)14(2)11(15)19/h7,13,16-17H,3-6,12H2,1-2H3
InChIKeyILFLETQSIVXYJD-UHFFFAOYSA-N
XLogP-1.70
TPSA122.51 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 5-1.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-amino-5-(2,3-dihydroxypropylamino)-3-methyl-1-propylpyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-(2,3-dihydroxypropylamino)-3-methyl-1-propylpyrimidine-2,4-dione (CID 66176927) is 6-amino-5-(2,3-dihydroxypropylamino)-3-methyl-1-propylpyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-(2,3-dihydroxypropylamino)-3-methyl-1-propylpyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-(2,3-dihydroxypropylamino)-3-methyl-1-propylpyrimidine-2,4-dione is CCCn1c(N)c(NCC(O)CO)c(=O)n(C)c1=O.
What is the InChIKey of 6-amino-5-(2,3-dihydroxypropylamino)-3-methyl-1-propylpyrimidine-2,4-dione?
The InChIKey is ILFLETQSIVXYJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O4/c1-3-4-15-9(12)8(13-5-7(17)6-16)10(18)14(2)11(15)19/h7,13,16-17H,3-6,12H2,1-2H3.
What are the key properties of 6-amino-5-(2,3-dihydroxypropylamino)-3-methyl-1-propylpyrimidine-2,4-dione?
6-amino-5-(2,3-dihydroxypropylamino)-3-methyl-1-propylpyrimidine-2,4-dione has a molecular weight of 272.30 g/mol, XLogP of -1.70, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-(2,3-dihydroxypropylamino)-3-methyl-1-propylpyrimidine-2,4-dione is sourced from PubChem (CID 66176927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).