N-ethyl-4,6-dimethoxypyrimidin-2-amine

C8H13N3O2 — CID 676547

IUPACN-ethyl-4,6-dimethoxypyrimidin-2-amine
SMILESCCNc1nc(OC)cc(OC)n1
InChIInChI=1S/C8H13N3O2/c1-4-9-8-10-6(12-2)5-7(11-8)13-3/h5H,4H2,1-3H3,(H,9,10,11)
InChIKeyXFVPSPUNOHACHY-UHFFFAOYSA-N
MW183.21 g/mol
LogP0.93
Rot. Bonds4

About N-ethyl-4,6-dimethoxypyrimidin-2-amine

N-ethyl-4,6-dimethoxypyrimidin-2-amine (PubChem CID 676547) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is N-ethyl-4,6-dimethoxypyrimidin-2-amine.

Molecular Properties

Compound NameN-ethyl-4,6-dimethoxypyrimidin-2-amine
PubChem CID676547
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC NameN-ethyl-4,6-dimethoxypyrimidin-2-amine
SMILESCCNc1nc(OC)cc(OC)n1
InChIInChI=1S/C8H13N3O2/c1-4-9-8-10-6(12-2)5-7(11-8)13-3/h5H,4H2,1-3H3,(H,9,10,11)
InChIKeyXFVPSPUNOHACHY-UHFFFAOYSA-N
XLogP0.93
TPSA56.27 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 ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4,6-dimethoxypyrimidin-2-amine?
The IUPAC name of N-ethyl-4,6-dimethoxypyrimidin-2-amine (CID 676547) is N-ethyl-4,6-dimethoxypyrimidin-2-amine.
What is the SMILES notation for N-ethyl-4,6-dimethoxypyrimidin-2-amine?
The canonical SMILES for N-ethyl-4,6-dimethoxypyrimidin-2-amine is CCNc1nc(OC)cc(OC)n1.
What is the InChIKey of N-ethyl-4,6-dimethoxypyrimidin-2-amine?
The InChIKey is XFVPSPUNOHACHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-4-9-8-10-6(12-2)5-7(11-8)13-3/h5H,4H2,1-3H3,(H,9,10,11).
What are the key properties of N-ethyl-4,6-dimethoxypyrimidin-2-amine?
N-ethyl-4,6-dimethoxypyrimidin-2-amine has a molecular weight of 183.21 g/mol, XLogP of 0.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4,6-dimethoxypyrimidin-2-amine is sourced from PubChem (CID 676547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).