5-amino-4-(2-propan-2-yloxyethoxy)-1H-pyrimidin-6-one

C9H15N3O3 — CID 103240699

IUPAC5-amino-4-(2-propan-2-yloxyethoxy)-1H-pyrimidin-6-one
SMILESCC(C)OCCOc1nc[nH]c(=O)c1N
InChIInChI=1S/C9H15N3O3/c1-6(2)14-3-4-15-9-7(10)8(13)11-5-12-9/h5-6H,3-4,10H2,1-2H3,(H,11,12,13)
InChIKeyNXTXGJFSYRUSRM-UHFFFAOYSA-N
MW213.24 g/mol
LogP0.16
Rot. Bonds5

About 5-amino-4-(2-propan-2-yloxyethoxy)-1H-pyrimidin-6-one

5-amino-4-(2-propan-2-yloxyethoxy)-1H-pyrimidin-6-one (PubChem CID 103240699) has the molecular formula C9H15N3O3 and a molecular weight of 213.24 g/mol. Its IUPAC name is 5-amino-4-(2-propan-2-yloxyethoxy)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-(2-propan-2-yloxyethoxy)-1H-pyrimidin-6-one
PubChem CID103240699
Molecular FormulaC9H15N3O3
Molecular Weight213.24 g/mol
Exact Mass213.11
IUPAC Name5-amino-4-(2-propan-2-yloxyethoxy)-1H-pyrimidin-6-one
SMILESCC(C)OCCOc1nc[nH]c(=O)c1N
InChIInChI=1S/C9H15N3O3/c1-6(2)14-3-4-15-9-7(10)8(13)11-5-12-9/h5-6H,3-4,10H2,1-2H3,(H,11,12,13)
InChIKeyNXTXGJFSYRUSRM-UHFFFAOYSA-N
XLogP0.16
TPSA90.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-amino-4-(2-propan-2-yloxyethoxy)-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-butoxyethoxy)-1H-pyrimidin-6-one
CID 103240430
5-amino-4-[(2-methylpropan-2-yl)oxy]-1H-pyrimidin-6-one
CID 103240448
5-amino-4-(2-methylbutan-2-yloxy)-1H-pyrimidin-6-one
CID 103240479
5-amino-4-cyclopentyloxy-1H-pyrimidin-6-one
CID 103240522
5-amino-4-(2-ethoxyethoxy)-1H-pyrimidin-6-one
CID 103240580
5-amino-4-(3-methylbutoxy)-1H-pyrimidin-6-one
CID 103240605
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-(oxan-2-ylmethoxy)-1H-pyrimidin-6-one
CID 103240692

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(2-propan-2-yloxyethoxy)-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-(2-propan-2-yloxyethoxy)-1H-pyrimidin-6-one (CID 103240699) is 5-amino-4-(2-propan-2-yloxyethoxy)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-(2-propan-2-yloxyethoxy)-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-(2-propan-2-yloxyethoxy)-1H-pyrimidin-6-one is CC(C)OCCOc1nc[nH]c(=O)c1N.
What is the InChIKey of 5-amino-4-(2-propan-2-yloxyethoxy)-1H-pyrimidin-6-one?
The InChIKey is NXTXGJFSYRUSRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O3/c1-6(2)14-3-4-15-9-7(10)8(13)11-5-12-9/h5-6H,3-4,10H2,1-2H3,(H,11,12,13).
What are the key properties of 5-amino-4-(2-propan-2-yloxyethoxy)-1H-pyrimidin-6-one?
5-amino-4-(2-propan-2-yloxyethoxy)-1H-pyrimidin-6-one has a molecular weight of 213.24 g/mol, XLogP of 0.16, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(2-propan-2-yloxyethoxy)-1H-pyrimidin-6-one is sourced from PubChem (CID 103240699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).