4,6-dimethoxy-N-methyl-N-(oxolan-3-yl)pyrimidin-2-amine

C11H17N3O3 — CID 172899427

IUPAC4,6-dimethoxy-N-methyl-N-(oxolan-3-yl)pyrimidin-2-amine
SMILESCOc1cc(OC)nc(N(C)C2CCOC2)n1
InChIInChI=1S/C11H17N3O3/c1-14(8-4-5-17-7-8)11-12-9(15-2)6-10(13-11)16-3/h6,8H,4-5,7H2,1-3H3
InChIKeySQTJARYRXQWQAS-UHFFFAOYSA-N
MW239.27 g/mol
LogP0.72
Rot. Bonds4

About 4,6-dimethoxy-N-methyl-N-(oxolan-3-yl)pyrimidin-2-amine

4,6-dimethoxy-N-methyl-N-(oxolan-3-yl)pyrimidin-2-amine (PubChem CID 172899427) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is 4,6-dimethoxy-N-methyl-N-(oxolan-3-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name4,6-dimethoxy-N-methyl-N-(oxolan-3-yl)pyrimidin-2-amine
PubChem CID172899427
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Name4,6-dimethoxy-N-methyl-N-(oxolan-3-yl)pyrimidin-2-amine
SMILESCOc1cc(OC)nc(N(C)C2CCOC2)n1
InChIInChI=1S/C11H17N3O3/c1-14(8-4-5-17-7-8)11-12-9(15-2)6-10(13-11)16-3/h6,8H,4-5,7H2,1-3H3
InChIKeySQTJARYRXQWQAS-UHFFFAOYSA-N
XLogP0.72
TPSA56.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethoxy-N-methyl-N-(oxolan-3-yl)pyrimidin-2-amine?
The IUPAC name of 4,6-dimethoxy-N-methyl-N-(oxolan-3-yl)pyrimidin-2-amine (CID 172899427) is 4,6-dimethoxy-N-methyl-N-(oxolan-3-yl)pyrimidin-2-amine.
What is the SMILES notation for 4,6-dimethoxy-N-methyl-N-(oxolan-3-yl)pyrimidin-2-amine?
The canonical SMILES for 4,6-dimethoxy-N-methyl-N-(oxolan-3-yl)pyrimidin-2-amine is COc1cc(OC)nc(N(C)C2CCOC2)n1.
What is the InChIKey of 4,6-dimethoxy-N-methyl-N-(oxolan-3-yl)pyrimidin-2-amine?
The InChIKey is SQTJARYRXQWQAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-14(8-4-5-17-7-8)11-12-9(15-2)6-10(13-11)16-3/h6,8H,4-5,7H2,1-3H3.
What are the key properties of 4,6-dimethoxy-N-methyl-N-(oxolan-3-yl)pyrimidin-2-amine?
4,6-dimethoxy-N-methyl-N-(oxolan-3-yl)pyrimidin-2-amine has a molecular weight of 239.27 g/mol, XLogP of 0.72, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethoxy-N-methyl-N-(oxolan-3-yl)pyrimidin-2-amine is sourced from PubChem (CID 172899427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).