5-amino-4-[3-(dimethylamino)propoxy]-1H-pyrimidin-6-one

C9H16N4O2 — CID 103241435

IUPAC5-amino-4-[3-(dimethylamino)propoxy]-1H-pyrimidin-6-one
SMILESCN(C)CCCOc1nc[nH]c(=O)c1N
InChIInChI=1S/C9H16N4O2/c1-13(2)4-3-5-15-9-7(10)8(14)11-6-12-9/h6H,3-5,10H2,1-2H3,(H,11,12,14)
InChIKeyDTTQWCGBSRQNAK-UHFFFAOYSA-N
MW212.25 g/mol
LogP-0.32
Rot. Bonds5

About 5-amino-4-[3-(dimethylamino)propoxy]-1H-pyrimidin-6-one

5-amino-4-[3-(dimethylamino)propoxy]-1H-pyrimidin-6-one (PubChem CID 103241435) has the molecular formula C9H16N4O2 and a molecular weight of 212.25 g/mol. Its IUPAC name is 5-amino-4-[3-(dimethylamino)propoxy]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-[3-(dimethylamino)propoxy]-1H-pyrimidin-6-one
PubChem CID103241435
Molecular FormulaC9H16N4O2
Molecular Weight212.25 g/mol
Exact Mass212.13
IUPAC Name5-amino-4-[3-(dimethylamino)propoxy]-1H-pyrimidin-6-one
SMILESCN(C)CCCOc1nc[nH]c(=O)c1N
InChIInChI=1S/C9H16N4O2/c1-13(2)4-3-5-15-9-7(10)8(14)11-6-12-9/h6H,3-5,10H2,1-2H3,(H,11,12,14)
InChIKeyDTTQWCGBSRQNAK-UHFFFAOYSA-N
XLogP-0.32
TPSA84.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-Amino-6-ethoxypyrimidin-4-ol
CID 19152432
5-Amino-6-(propan-2-yloxy)pyrimidin-4-ol
CID 19152493
5-Amino-6-propoxypyrimidin-4-ol
CID 80141728
5-amino-4-[2-[cyclopropyl(methyl)amino]ethoxy]-1H-pyrimidin-6-one
CID 102741495
5-amino-4-(2-butoxyethoxy)-1H-pyrimidin-6-one
CID 103240430
5-amino-4-hexoxy-1H-pyrimidin-6-one
CID 103240490
5-amino-4-(2-ethoxyethoxy)-1H-pyrimidin-6-one
CID 103240580
5-amino-4-(2-methoxyethoxy)-1H-pyrimidin-6-one
CID 103240661
5-amino-4-(2-methylpropoxy)-1H-pyrimidin-6-one
CID 103240671
5-amino-4-butoxy-1H-pyrimidin-6-one
CID 103240826
5-amino-4-pentoxy-1H-pyrimidin-6-one
CID 103240842
5-amino-4-butan-2-yloxy-1H-pyrimidin-6-one
CID 103240850

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-[3-(dimethylamino)propoxy]-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-[3-(dimethylamino)propoxy]-1H-pyrimidin-6-one (CID 103241435) is 5-amino-4-[3-(dimethylamino)propoxy]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-[3-(dimethylamino)propoxy]-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-[3-(dimethylamino)propoxy]-1H-pyrimidin-6-one is CN(C)CCCOc1nc[nH]c(=O)c1N.
What is the InChIKey of 5-amino-4-[3-(dimethylamino)propoxy]-1H-pyrimidin-6-one?
The InChIKey is DTTQWCGBSRQNAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2/c1-13(2)4-3-5-15-9-7(10)8(14)11-6-12-9/h6H,3-5,10H2,1-2H3,(H,11,12,14).
What are the key properties of 5-amino-4-[3-(dimethylamino)propoxy]-1H-pyrimidin-6-one?
5-amino-4-[3-(dimethylamino)propoxy]-1H-pyrimidin-6-one has a molecular weight of 212.25 g/mol, XLogP of -0.32, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-[3-(dimethylamino)propoxy]-1H-pyrimidin-6-one is sourced from PubChem (CID 103241435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).