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

C10H18N4O4 — CID 66177974

IUPAC6-amino-5-(2,3-dihydroxypropylamino)-1-propylpyrimidine-2,4-dione
SMILESCCCn1c(N)c(NCC(O)CO)c(=O)[nH]c1=O
InChIInChI=1S/C10H18N4O4/c1-2-3-14-8(11)7(9(17)13-10(14)18)12-4-6(16)5-15/h6,12,15-16H,2-5,11H2,1H3,(H,13,17,18)
InChIKeyKTKIZYGTRXZETD-UHFFFAOYSA-N
MW258.28 g/mol
LogP-1.71
Rot. Bonds6

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

6-amino-5-(2,3-dihydroxypropylamino)-1-propylpyrimidine-2,4-dione (PubChem CID 66177974) has the molecular formula C10H18N4O4 and a molecular weight of 258.28 g/mol. Its IUPAC name is 6-amino-5-(2,3-dihydroxypropylamino)-1-propylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-(2,3-dihydroxypropylamino)-1-propylpyrimidine-2,4-dione
PubChem CID66177974
Molecular FormulaC10H18N4O4
Molecular Weight258.28 g/mol
Exact Mass258.13
IUPAC Name6-amino-5-(2,3-dihydroxypropylamino)-1-propylpyrimidine-2,4-dione
SMILESCCCn1c(N)c(NCC(O)CO)c(=O)[nH]c1=O
InChIInChI=1S/C10H18N4O4/c1-2-3-14-8(11)7(9(17)13-10(14)18)12-4-6(16)5-15/h6,12,15-16H,2-5,11H2,1H3,(H,13,17,18)
InChIKeyKTKIZYGTRXZETD-UHFFFAOYSA-N
XLogP-1.71
TPSA133.37 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 5-1.71
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-propylpyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-(2,3-dihydroxypropylamino)-1-propylpyrimidine-2,4-dione (CID 66177974) is 6-amino-5-(2,3-dihydroxypropylamino)-1-propylpyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-(2,3-dihydroxypropylamino)-1-propylpyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-(2,3-dihydroxypropylamino)-1-propylpyrimidine-2,4-dione is CCCn1c(N)c(NCC(O)CO)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-5-(2,3-dihydroxypropylamino)-1-propylpyrimidine-2,4-dione?
The InChIKey is KTKIZYGTRXZETD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O4/c1-2-3-14-8(11)7(9(17)13-10(14)18)12-4-6(16)5-15/h6,12,15-16H,2-5,11H2,1H3,(H,13,17,18).
What are the key properties of 6-amino-5-(2,3-dihydroxypropylamino)-1-propylpyrimidine-2,4-dione?
6-amino-5-(2,3-dihydroxypropylamino)-1-propylpyrimidine-2,4-dione has a molecular weight of 258.28 g/mol, XLogP of -1.71, 6 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-propylpyrimidine-2,4-dione is sourced from PubChem (CID 66177974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).