6-(6-methoxy-3-pyridinyl)-2-propylpyrimidin-4-amine

C13H16N4O — CID 80946553

IUPAC6-(6-methoxy-3-pyridinyl)-2-propylpyrimidin-4-amine
SMILESCCCc1nc(N)cc(-c2ccc(OC)nc2)n1
InChIInChI=1S/C13H16N4O/c1-3-4-12-16-10(7-11(14)17-12)9-5-6-13(18-2)15-8-9/h5-8H,3-4H2,1-2H3,(H2,14,16,17)
InChIKeyWFZFZVBDUQSKOH-UHFFFAOYSA-N
MW244.30 g/mol
LogP2.08
Rot. Bonds4

About 6-(6-methoxy-3-pyridinyl)-2-propylpyrimidin-4-amine

6-(6-methoxy-3-pyridinyl)-2-propylpyrimidin-4-amine (PubChem CID 80946553) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 6-(6-methoxy-3-pyridinyl)-2-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(6-methoxy-3-pyridinyl)-2-propylpyrimidin-4-amine
PubChem CID80946553
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name6-(6-methoxy-3-pyridinyl)-2-propylpyrimidin-4-amine
SMILESCCCc1nc(N)cc(-c2ccc(OC)nc2)n1
InChIInChI=1S/C13H16N4O/c1-3-4-12-16-10(7-11(14)17-12)9-5-6-13(18-2)15-8-9/h5-8H,3-4H2,1-2H3,(H2,14,16,17)
InChIKeyWFZFZVBDUQSKOH-UHFFFAOYSA-N
XLogP2.08
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(6-methoxy-3-pyridinyl)-2-propylpyrimidin-4-amine?
The IUPAC name of 6-(6-methoxy-3-pyridinyl)-2-propylpyrimidin-4-amine (CID 80946553) is 6-(6-methoxy-3-pyridinyl)-2-propylpyrimidin-4-amine.
What is the SMILES notation for 6-(6-methoxy-3-pyridinyl)-2-propylpyrimidin-4-amine?
The canonical SMILES for 6-(6-methoxy-3-pyridinyl)-2-propylpyrimidin-4-amine is CCCc1nc(N)cc(-c2ccc(OC)nc2)n1.
What is the InChIKey of 6-(6-methoxy-3-pyridinyl)-2-propylpyrimidin-4-amine?
The InChIKey is WFZFZVBDUQSKOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-3-4-12-16-10(7-11(14)17-12)9-5-6-13(18-2)15-8-9/h5-8H,3-4H2,1-2H3,(H2,14,16,17).
What are the key properties of 6-(6-methoxy-3-pyridinyl)-2-propylpyrimidin-4-amine?
6-(6-methoxy-3-pyridinyl)-2-propylpyrimidin-4-amine has a molecular weight of 244.30 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-methoxy-3-pyridinyl)-2-propylpyrimidin-4-amine is sourced from PubChem (CID 80946553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).