(4,6-dimethoxypyrimidin-5-yl)methanamine

C7H11N3O2 — CID 39872353

IUPAC(4,6-dimethoxypyrimidin-5-yl)methanamine
SMILESCOc1ncnc(OC)c1CN
InChIInChI=1S/C7H11N3O2/c1-11-6-5(3-8)7(12-2)10-4-9-6/h4H,3,8H2,1-2H3
InChIKeyHWSNTMODDYZABZ-UHFFFAOYSA-N
MW169.18 g/mol
LogP-0.05
Rot. Bonds3

About (4,6-dimethoxypyrimidin-5-yl)methanamine

(4,6-dimethoxypyrimidin-5-yl)methanamine (PubChem CID 39872353) has the molecular formula C7H11N3O2 and a molecular weight of 169.18 g/mol. Its IUPAC name is (4,6-dimethoxypyrimidin-5-yl)methanamine.

Molecular Properties

Compound Name(4,6-dimethoxypyrimidin-5-yl)methanamine
PubChem CID39872353
Molecular FormulaC7H11N3O2
Molecular Weight169.18 g/mol
Exact Mass169.09
IUPAC Name(4,6-dimethoxypyrimidin-5-yl)methanamine
SMILESCOc1ncnc(OC)c1CN
InChIInChI=1S/C7H11N3O2/c1-11-6-5(3-8)7(12-2)10-4-9-6/h4H,3,8H2,1-2H3
InChIKeyHWSNTMODDYZABZ-UHFFFAOYSA-N
XLogP-0.05
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4,6-dimethoxypyrimidin-5-yl)methanamine?
The IUPAC name of (4,6-dimethoxypyrimidin-5-yl)methanamine (CID 39872353) is (4,6-dimethoxypyrimidin-5-yl)methanamine.
What is the SMILES notation for (4,6-dimethoxypyrimidin-5-yl)methanamine?
The canonical SMILES for (4,6-dimethoxypyrimidin-5-yl)methanamine is COc1ncnc(OC)c1CN.
What is the InChIKey of (4,6-dimethoxypyrimidin-5-yl)methanamine?
The InChIKey is HWSNTMODDYZABZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2/c1-11-6-5(3-8)7(12-2)10-4-9-6/h4H,3,8H2,1-2H3.
What are the key properties of (4,6-dimethoxypyrimidin-5-yl)methanamine?
(4,6-dimethoxypyrimidin-5-yl)methanamine has a molecular weight of 169.18 g/mol, XLogP of -0.05, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4,6-dimethoxypyrimidin-5-yl)methanamine is sourced from PubChem (CID 39872353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).