6-amino-5-[(3-hydroxyoxolan-3-yl)methylamino]-1-propylpyrimidine-2,4-dione

C12H20N4O4 — CID 103847814

IUPAC6-amino-5-[(3-hydroxyoxolan-3-yl)methylamino]-1-propylpyrimidine-2,4-dione
SMILESCCCn1c(N)c(NCC2(O)CCOC2)c(=O)[nH]c1=O
InChIInChI=1S/C12H20N4O4/c1-2-4-16-9(13)8(10(17)15-11(16)18)14-6-12(19)3-5-20-7-12/h14,19H,2-7,13H2,1H3,(H,15,17,18)
InChIKeyGZJISQVOXSGEDH-UHFFFAOYSA-N
MW284.32 g/mol
LogP-0.91
Rot. Bonds5

About 6-amino-5-[(3-hydroxyoxolan-3-yl)methylamino]-1-propylpyrimidine-2,4-dione

6-amino-5-[(3-hydroxyoxolan-3-yl)methylamino]-1-propylpyrimidine-2,4-dione (PubChem CID 103847814) has the molecular formula C12H20N4O4 and a molecular weight of 284.32 g/mol. Its IUPAC name is 6-amino-5-[(3-hydroxyoxolan-3-yl)methylamino]-1-propylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-[(3-hydroxyoxolan-3-yl)methylamino]-1-propylpyrimidine-2,4-dione
PubChem CID103847814
Molecular FormulaC12H20N4O4
Molecular Weight284.32 g/mol
Exact Mass284.15
IUPAC Name6-amino-5-[(3-hydroxyoxolan-3-yl)methylamino]-1-propylpyrimidine-2,4-dione
SMILESCCCn1c(N)c(NCC2(O)CCOC2)c(=O)[nH]c1=O
InChIInChI=1S/C12H20N4O4/c1-2-4-16-9(13)8(10(17)15-11(16)18)14-6-12(19)3-5-20-7-12/h14,19H,2-7,13H2,1H3,(H,15,17,18)
InChIKeyGZJISQVOXSGEDH-UHFFFAOYSA-N
XLogP-0.91
TPSA122.37 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 5-0.91
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-amino-5-[(3-hydroxyoxolan-3-yl)methylamino]-1-propylpyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-[(3-hydroxyoxolan-3-yl)methylamino]-1-propylpyrimidine-2,4-dione (CID 103847814) is 6-amino-5-[(3-hydroxyoxolan-3-yl)methylamino]-1-propylpyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-[(3-hydroxyoxolan-3-yl)methylamino]-1-propylpyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-[(3-hydroxyoxolan-3-yl)methylamino]-1-propylpyrimidine-2,4-dione is CCCn1c(N)c(NCC2(O)CCOC2)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-5-[(3-hydroxyoxolan-3-yl)methylamino]-1-propylpyrimidine-2,4-dione?
The InChIKey is GZJISQVOXSGEDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O4/c1-2-4-16-9(13)8(10(17)15-11(16)18)14-6-12(19)3-5-20-7-12/h14,19H,2-7,13H2,1H3,(H,15,17,18).
What are the key properties of 6-amino-5-[(3-hydroxyoxolan-3-yl)methylamino]-1-propylpyrimidine-2,4-dione?
6-amino-5-[(3-hydroxyoxolan-3-yl)methylamino]-1-propylpyrimidine-2,4-dione has a molecular weight of 284.32 g/mol, XLogP of -0.91, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-[(3-hydroxyoxolan-3-yl)methylamino]-1-propylpyrimidine-2,4-dione is sourced from PubChem (CID 103847814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).