5-[[5-(cyclopenten-1-yl)-2-methoxy-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine

C16H18N4O2 — CID 158177381

IUPAC5-[[5-(cyclopenten-1-yl)-2-methoxy-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine
SMILESCOc1cc(Oc2cnc(C)nc2N)c(C2=CCCC2)cn1
InChIInChI=1S/C16H18N4O2/c1-10-18-9-14(16(17)20-10)22-13-7-15(21-2)19-8-12(13)11-5-3-4-6-11/h5,7-9H,3-4,6H2,1-2H3,(H2,17,18,20)
InChIKeySNSTUXSBYWYPNE-UHFFFAOYSA-N
MW298.35 g/mol
LogP3.13
Rot. Bonds4

About 5-[[5-(cyclopenten-1-yl)-2-methoxy-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine

5-[[5-(cyclopenten-1-yl)-2-methoxy-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine (PubChem CID 158177381) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is 5-[[5-(cyclopenten-1-yl)-2-methoxy-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine.

Molecular Properties

Compound Name5-[[5-(cyclopenten-1-yl)-2-methoxy-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine
PubChem CID158177381
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC Name5-[[5-(cyclopenten-1-yl)-2-methoxy-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine
SMILESCOc1cc(Oc2cnc(C)nc2N)c(C2=CCCC2)cn1
InChIInChI=1S/C16H18N4O2/c1-10-18-9-14(16(17)20-10)22-13-7-15(21-2)19-8-12(13)11-5-3-4-6-11/h5,7-9H,3-4,6H2,1-2H3,(H2,17,18,20)
InChIKeySNSTUXSBYWYPNE-UHFFFAOYSA-N
XLogP3.13
TPSA83.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[[5-(cyclopenten-1-yl)-2-methoxy-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine?
The IUPAC name of 5-[[5-(cyclopenten-1-yl)-2-methoxy-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine (CID 158177381) is 5-[[5-(cyclopenten-1-yl)-2-methoxy-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine.
What is the SMILES notation for 5-[[5-(cyclopenten-1-yl)-2-methoxy-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine?
The canonical SMILES for 5-[[5-(cyclopenten-1-yl)-2-methoxy-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine is COc1cc(Oc2cnc(C)nc2N)c(C2=CCCC2)cn1.
What is the InChIKey of 5-[[5-(cyclopenten-1-yl)-2-methoxy-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine?
The InChIKey is SNSTUXSBYWYPNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2/c1-10-18-9-14(16(17)20-10)22-13-7-15(21-2)19-8-12(13)11-5-3-4-6-11/h5,7-9H,3-4,6H2,1-2H3,(H2,17,18,20).
What are the key properties of 5-[[5-(cyclopenten-1-yl)-2-methoxy-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine?
5-[[5-(cyclopenten-1-yl)-2-methoxy-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine has a molecular weight of 298.35 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-(cyclopenten-1-yl)-2-methoxy-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine is sourced from PubChem (CID 158177381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).