3-amino-6-[2-[(3-amino-2,4-dioxo-1H-pyrimidin-6-yl)methoxy]ethoxymethyl]-1H-pyrimidine-2,4-dione

C12H16N6O6 — CID 70462600

IUPAC3-amino-6-[2-[(3-amino-2,4-dioxo-1H-pyrimidin-6-yl)methoxy]ethoxymethyl]-1H-pyrimidine-2,4-dione
SMILESNn1c(=O)cc(COCCOCc2cc(=O)n(N)c(=O)[nH]2)[nH]c1=O
InChIInChI=1S/C12H16N6O6/c13-17-9(19)3-7(15-11(17)21)5-23-1-2-24-6-8-4-10(20)18(14)12(22)16-8/h3-4H,1-2,5-6,13-14H2,(H,15,21)(H,16,22)
InChIKeyHEAAWOARCCIZEF-UHFFFAOYSA-N
MW340.30 g/mol
LogP-3.45
Rot. Bonds7

About 3-amino-6-[2-[(3-amino-2,4-dioxo-1H-pyrimidin-6-yl)methoxy]ethoxymethyl]-1H-pyrimidine-2,4-dione

3-amino-6-[2-[(3-amino-2,4-dioxo-1H-pyrimidin-6-yl)methoxy]ethoxymethyl]-1H-pyrimidine-2,4-dione (PubChem CID 70462600) has the molecular formula C12H16N6O6 and a molecular weight of 340.30 g/mol. Its IUPAC name is 3-amino-6-[2-[(3-amino-2,4-dioxo-1H-pyrimidin-6-yl)methoxy]ethoxymethyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-amino-6-[2-[(3-amino-2,4-dioxo-1H-pyrimidin-6-yl)methoxy]ethoxymethyl]-1H-pyrimidine-2,4-dione
PubChem CID70462600
Molecular FormulaC12H16N6O6
Molecular Weight340.30 g/mol
Exact Mass340.11
IUPAC Name3-amino-6-[2-[(3-amino-2,4-dioxo-1H-pyrimidin-6-yl)methoxy]ethoxymethyl]-1H-pyrimidine-2,4-dione
SMILESNn1c(=O)cc(COCCOCc2cc(=O)n(N)c(=O)[nH]2)[nH]c1=O
InChIInChI=1S/C12H16N6O6/c13-17-9(19)3-7(15-11(17)21)5-23-1-2-24-6-8-4-10(20)18(14)12(22)16-8/h3-4H,1-2,5-6,13-14H2,(H,15,21)(H,16,22)
InChIKeyHEAAWOARCCIZEF-UHFFFAOYSA-N
XLogP-3.45
TPSA180.22 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.30
LogP ≤ 5-3.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 3-amino-6-[2-[(3-amino-2,4-dioxo-1H-pyrimidin-6-yl)methoxy]ethoxymethyl]-1H-pyrimidine-2,4-dione with MolForge

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Related Compounds

3-tert-butyl-6-(methoxymethyl)-1H-pyrimidine-2,4-dione
CID 122239218
2-(3-amino-2,6-dioxopyrimidine-4-carbonyl)oxyethyl 3-amino-2,6-dioxopyrimidine-4-carboxylate
CID 70462612
6-(methoxymethyl)-3-(2,2,2-trifluoroethyl)-1H-pyrimidine-2,4-dione
CID 122239170
3,6-diethyl-1H-pyrimidine-2,4-dione
CID 58295023
1-[2-[(3,5-dimethylphenyl)methoxy]ethoxymethyl]-5-methylpyrimidine-2,4-dione
CID 4919986
6-(2-aminoethyl)-3-prop-2-ynyl-1H-pyrimidine-2,4-dione
CID 91140674
2-[2-(2-aminoethoxy)ethoxymethyl]-5-propoxy-1H-pyridin-4-one
CID 82352831
ethyl 6-(ethoxymethyl)-4-hydroxy-2-oxo-1H-pyridine-3-carboxylate
CID 164676176
3-amino-7-methyl-4-sulfanylidene-1H-quinazolin-2-one
CID 170981203
5-amino-1-(2-ethoxyethyl)pyrimidine-2,4-dione
CID 63801121
2-ethyl-5-(methoxymethyl)-1H-pyrazol-3-one
CID 66021908
ethyl 2-(methoxymethyl)-4-oxo-1H-imidazo[1,5-a]pyrimidine-8-carboxylate
CID 131987853

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-[2-[(3-amino-2,4-dioxo-1H-pyrimidin-6-yl)methoxy]ethoxymethyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 3-amino-6-[2-[(3-amino-2,4-dioxo-1H-pyrimidin-6-yl)methoxy]ethoxymethyl]-1H-pyrimidine-2,4-dione (CID 70462600) is 3-amino-6-[2-[(3-amino-2,4-dioxo-1H-pyrimidin-6-yl)methoxy]ethoxymethyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 3-amino-6-[2-[(3-amino-2,4-dioxo-1H-pyrimidin-6-yl)methoxy]ethoxymethyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 3-amino-6-[2-[(3-amino-2,4-dioxo-1H-pyrimidin-6-yl)methoxy]ethoxymethyl]-1H-pyrimidine-2,4-dione is Nn1c(=O)cc(COCCOCc2cc(=O)n(N)c(=O)[nH]2)[nH]c1=O.
What is the InChIKey of 3-amino-6-[2-[(3-amino-2,4-dioxo-1H-pyrimidin-6-yl)methoxy]ethoxymethyl]-1H-pyrimidine-2,4-dione?
The InChIKey is HEAAWOARCCIZEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6O6/c13-17-9(19)3-7(15-11(17)21)5-23-1-2-24-6-8-4-10(20)18(14)12(22)16-8/h3-4H,1-2,5-6,13-14H2,(H,15,21)(H,16,22).
What are the key properties of 3-amino-6-[2-[(3-amino-2,4-dioxo-1H-pyrimidin-6-yl)methoxy]ethoxymethyl]-1H-pyrimidine-2,4-dione?
3-amino-6-[2-[(3-amino-2,4-dioxo-1H-pyrimidin-6-yl)methoxy]ethoxymethyl]-1H-pyrimidine-2,4-dione has a molecular weight of 340.30 g/mol, XLogP of -3.45, 7 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-[2-[(3-amino-2,4-dioxo-1H-pyrimidin-6-yl)methoxy]ethoxymethyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 70462600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).