5-amino-4-[2-(3-methoxypropoxy)ethoxy]-1H-pyrimidin-6-one

C10H17N3O4 — CID 103242137

IUPAC5-amino-4-[2-(3-methoxypropoxy)ethoxy]-1H-pyrimidin-6-one
SMILESCOCCCOCCOc1nc[nH]c(=O)c1N
InChIInChI=1S/C10H17N3O4/c1-15-3-2-4-16-5-6-17-10-8(11)9(14)12-7-13-10/h7H,2-6,11H2,1H3,(H,12,13,14)
InChIKeyNVXJTDVQMIDHGJ-UHFFFAOYSA-N
MW243.26 g/mol
LogP-0.22
Rot. Bonds8

About 5-amino-4-[2-(3-methoxypropoxy)ethoxy]-1H-pyrimidin-6-one

5-amino-4-[2-(3-methoxypropoxy)ethoxy]-1H-pyrimidin-6-one (PubChem CID 103242137) has the molecular formula C10H17N3O4 and a molecular weight of 243.26 g/mol. Its IUPAC name is 5-amino-4-[2-(3-methoxypropoxy)ethoxy]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-[2-(3-methoxypropoxy)ethoxy]-1H-pyrimidin-6-one
PubChem CID103242137
Molecular FormulaC10H17N3O4
Molecular Weight243.26 g/mol
Exact Mass243.12
IUPAC Name5-amino-4-[2-(3-methoxypropoxy)ethoxy]-1H-pyrimidin-6-one
SMILESCOCCCOCCOc1nc[nH]c(=O)c1N
InChIInChI=1S/C10H17N3O4/c1-15-3-2-4-16-5-6-17-10-8(11)9(14)12-7-13-10/h7H,2-6,11H2,1H3,(H,12,13,14)
InChIKeyNVXJTDVQMIDHGJ-UHFFFAOYSA-N
XLogP-0.22
TPSA99.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-amino-4-[2-(3-methoxypropoxy)ethoxy]-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-[2-(3-methoxypropoxy)ethoxy]-1H-pyrimidin-6-one (CID 103242137) is 5-amino-4-[2-(3-methoxypropoxy)ethoxy]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-[2-(3-methoxypropoxy)ethoxy]-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-[2-(3-methoxypropoxy)ethoxy]-1H-pyrimidin-6-one is COCCCOCCOc1nc[nH]c(=O)c1N.
What is the InChIKey of 5-amino-4-[2-(3-methoxypropoxy)ethoxy]-1H-pyrimidin-6-one?
The InChIKey is NVXJTDVQMIDHGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O4/c1-15-3-2-4-16-5-6-17-10-8(11)9(14)12-7-13-10/h7H,2-6,11H2,1H3,(H,12,13,14).
What are the key properties of 5-amino-4-[2-(3-methoxypropoxy)ethoxy]-1H-pyrimidin-6-one?
5-amino-4-[2-(3-methoxypropoxy)ethoxy]-1H-pyrimidin-6-one has a molecular weight of 243.26 g/mol, XLogP of -0.22, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-[2-(3-methoxypropoxy)ethoxy]-1H-pyrimidin-6-one is sourced from PubChem (CID 103242137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).