4,6-diethoxypyrimidin-2-amine

C8H13N3O2 — CID 2337561

IUPAC4,6-diethoxypyrimidin-2-amine
SMILESCCOc1cc(OCC)nc(N)n1
InChIInChI=1S/C8H13N3O2/c1-3-12-6-5-7(13-4-2)11-8(9)10-6/h5H,3-4H2,1-2H3,(H2,9,10,11)
InChIKeyMWLFJSYZFRVWBS-UHFFFAOYSA-N
MW183.21 g/mol
LogP0.86
Rot. Bonds4

About 4,6-diethoxypyrimidin-2-amine

4,6-diethoxypyrimidin-2-amine (PubChem CID 2337561) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is 4,6-diethoxypyrimidin-2-amine.

Molecular Properties

Compound Name4,6-diethoxypyrimidin-2-amine
PubChem CID2337561
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name4,6-diethoxypyrimidin-2-amine
SMILESCCOc1cc(OCC)nc(N)n1
InChIInChI=1S/C8H13N3O2/c1-3-12-6-5-7(13-4-2)11-8(9)10-6/h5H,3-4H2,1-2H3,(H2,9,10,11)
InChIKeyMWLFJSYZFRVWBS-UHFFFAOYSA-N
XLogP0.86
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Etrimfos
CID 37995
2-Amino-4,6-dimethoxypyrimidine
CID 118946
2,6-Dimethoxy-4-aminopyrimidine
CID 76789
4,6-Dimethoxy-2-pyrimidinyl urea
CID 9837373
2-[2-Amino-6-[2-(phosphonomethoxy)ethoxy]pyrimidin-4-yl]oxyethoxymethylphosphonic acid
CID 493055
N-(4,6-dimethoxypyrimidin-2-yl)acetamide
CID 934943
2,4,6-Trimethoxypyrimidine
CID 726938
2-Chloro-4,6-dimethoxypyrimidine
CID 5152323
N-(4,6-dimethoxypyrimidin-2-yl)-2-methylpropanamide
CID 718572
4,6-Diethoxy-2-pyrimidinyl methyl sulfone
CID 850251
4,6-Dimethoxypyrimidine-2-carbonitrile
CID 21466113
2,4-Diamino-6-methoxypyrimidine
CID 816925

Frequently Asked Questions

What is the IUPAC name of 4,6-diethoxypyrimidin-2-amine?
The IUPAC name of 4,6-diethoxypyrimidin-2-amine (CID 2337561) is 4,6-diethoxypyrimidin-2-amine.
What is the SMILES notation for 4,6-diethoxypyrimidin-2-amine?
The canonical SMILES for 4,6-diethoxypyrimidin-2-amine is CCOc1cc(OCC)nc(N)n1.
What is the InChIKey of 4,6-diethoxypyrimidin-2-amine?
The InChIKey is MWLFJSYZFRVWBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-3-12-6-5-7(13-4-2)11-8(9)10-6/h5H,3-4H2,1-2H3,(H2,9,10,11).
What are the key properties of 4,6-diethoxypyrimidin-2-amine?
4,6-diethoxypyrimidin-2-amine has a molecular weight of 183.21 g/mol, XLogP of 0.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-diethoxypyrimidin-2-amine is sourced from PubChem (CID 2337561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).